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Opened 86 minutes ago
#19961 new defect
ChimeraX bug report submission
| Reported by: | Owned by: | ||
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Unassigned | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | ||
| Project: |
Description
The following bug report has been submitted:
Platform: macOS-26.0.1-arm64-arm-64bit
ChimeraX Version: 1.11.1 (2026-01-23 05:51:34 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault
Thread 0x00000001799af000 (most recent call first):
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 331 in wait
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 629 in wait
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1399 in run
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1045 in _bootstrap_inner
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1002 in _bootstrap
Current thread 0x00000001f991c800 (most recent call first):
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 414 in event_loop
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1064 in init
File "/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1229 in
File "", line 88 in _run_code
File "", line 198 in _run_module_as_main
Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, psutil._psutil_osx, psutil._psutil_posix, chimerax.pdb_lib._load_libs, chimerax.surface._surface, PIL._imaging, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, PIL._imagingmath, chimerax.atom_search.ast, chimerax.chem_group._chem_group, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets (total: 52)
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{
"uptime" : 210000,
"procRole" : "Foreground",
"version" : 2,
"userID" : 501,
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"modelCode" : "MacBookPro17,1",
"coalitionID" : 23006,
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"captureTime" : "2026-03-11 02:04:20.2615 +0000",
"codeSigningMonitor" : 1,
"incident" : "F0A575AC-F718-4FC0-88A7-3D08B3290CA5",
"pid" : 48686,
"translated" : false,
"cpuType" : "ARM-64",
"roots_installed" : 0,
"bug_type" : "309",
"procLaunch" : "2026-03-11 01:53:38.8592 +0000",
"procStartAbsTime" : 5203677984635,
"procExitAbsTime" : 5219068094673,
"procName" : "ChimeraX",
"procPath" : "\/Applications\/ChimeraX-1.11.1.app\/Contents\/MacOS\/ChimeraX",
"bundleInfo" : {"CFBundleShortVersionString":"1.11.1","CFBundleVersion":"1.11.1.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
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"crashReporterKey" : "CE210487-9508-3306-985A-A9C753D4ED84",
"developerMode" : 1,
"bootProgressRegister" : "0x2f000000",
"codeSigningID" : "edu.ucsf.cgl.ChimeraX",
"codeSigningTeamID" : "LWV8X224YF",
"codeSigningFlags" : 570491649,
"codeSigningValidationCategory" : 6,
"codeSigningTrustLevel" : 4294967295,
"codeSigningAuxiliaryInfo" : 0,
"instructionByteStream" : {"beforePC":"fyMD1f17v6n9AwCRFOD\/l78DAJH9e8Go\/w9f1sADX9YQKYDSARAA1A==","atPC":"AwEAVH8jA9X9e7+p\/QMAkQng\/5e\/AwCR\/XvBqP8PX9bAA1\/WcAqA0g=="},
"bootSessionUUID" : "78A0FEDC-9C27-435D-A712-4AF8D17084DE",
"wakeTime" : 4897,
"sleepWakeUUID" : "A0D62AFF-4A7D-4829-9E49-4C5DB1F47B40",
"sip" : "enabled",
"vmRegionInfo" : "0x8 is not in any region. Bytes before following region: 4369956856
REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL
UNUSED SPACE AT START
--->
__TEXT 104784000-104788000 [ 16K] r-x\/r-x SM=COW \/Applications\/ChimeraX-1.11.1.app\/Contents\/MacOS\/ChimeraX",
"exception" : {"codes":"0x0000000000000001, 0x0000000000000008","rawCodes":[1,8],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x0000000000000008"},
"termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":48686},
"vmregioninfo" : "0x8 is not in any region. Bytes before following region: 4369956856
REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL
UNUSED SPACE AT START
--->
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Activity Tracing 256K 1
AttributeGraph Data 1024K 1
CG image 192K 9
ColorSync 704K 33
CoreAnimation 1456K 74
CoreGraphics 112K 6
CoreUI image data 4672K 35
Foundation 16K 1
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Mach message 64K 2
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Stack 232.9M 43
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mapped file 304.5M 71
page table in kernel 1381K 1
shared memory 3200K 28
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TOTAL, minus reserved VM space 3.8G 7001
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===== Log before crash start =====
UCSF ChimeraX version: 1.11.1 (2026-01-23)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open /Users/charlottexia/Desktop/ligand2_C2Cl/result.dock4.pdb
Summary of feedback from opening
/Users/charlottexia/Desktop/ligand2_C2Cl/result.dock4.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK FILE_NAME : seed-1-18-1-2-3.crd
Ignored bad PDB record found on line 2
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 3
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 4
REMARK MEMBER_ENERGY : 21.778401
Ignored bad PDB record found on line 5
REMARK MEMBER_SCORE : 21.778401
17 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 89
REMARK FILE_NAME : seed-1-25-1-2-3.crd
Ignored bad PDB record found on line 90
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 91
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 92
REMARK MEMBER_ENERGY : 27.260278
Ignored bad PDB record found on line 93
REMARK MEMBER_SCORE : 27.260278
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 133
REMARK FILE_NAME : seed-1-31-0-0-1.crd
Ignored bad PDB record found on line 134
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 135
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 136
REMARK MEMBER_ENERGY : 27.431047
Ignored bad PDB record found on line 137
REMARK MEMBER_SCORE : 27.431047
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 177
REMARK FILE_NAME : seed-1-12-1-2-0.crd
Ignored bad PDB record found on line 178
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 179
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 180
REMARK MEMBER_ENERGY : 27.594099
Ignored bad PDB record found on line 181
REMARK MEMBER_SCORE : 27.594099
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 221
REMARK FILE_NAME : seed-1-18-0-0-1.crd
Ignored bad PDB record found on line 222
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 223
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 224
REMARK MEMBER_ENERGY : 28.131259
Ignored bad PDB record found on line 225
REMARK MEMBER_SCORE : 28.131259
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 265
REMARK FILE_NAME : seed-1-38-0-0-1.crd
Ignored bad PDB record found on line 266
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 267
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 268
REMARK MEMBER_ENERGY : 28.414608
Ignored bad PDB record found on line 269
REMARK MEMBER_SCORE : 28.414608
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 309
REMARK FILE_NAME : seed-1-2-0-0-2.crd
Ignored bad PDB record found on line 310
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 311
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 312
REMARK MEMBER_ENERGY : 29.304311
Ignored bad PDB record found on line 313
REMARK MEMBER_SCORE : 29.304311
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 353
REMARK FILE_NAME : seed-1-11-0-3-0.crd
Ignored bad PDB record found on line 354
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 355
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 356
REMARK MEMBER_ENERGY : 30.684937
Ignored bad PDB record found on line 357
REMARK MEMBER_SCORE : 30.684937
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 397
REMARK FILE_NAME : seed-1-25-0-0-0.crd
Ignored bad PDB record found on line 398
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 399
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 400
REMARK MEMBER_ENERGY : 32.621758
Ignored bad PDB record found on line 401
REMARK MEMBER_SCORE : 32.621758
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 441
REMARK FILE_NAME : seed-1-21-0-0-3.crd
Ignored bad PDB record found on line 442
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 443
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 444
REMARK MEMBER_ENERGY : 32.971550
Ignored bad PDB record found on line 445
REMARK MEMBER_SCORE : 32.971550
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 485
REMARK FILE_NAME : seed-1-22-0-0-0.crd
Ignored bad PDB record found on line 486
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 487
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 488
REMARK MEMBER_ENERGY : 33.047038
Ignored bad PDB record found on line 489
REMARK MEMBER_SCORE : 33.047038
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 529
REMARK FILE_NAME : seed-1-23-0-3-3.crd
Ignored bad PDB record found on line 530
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 531
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 532
REMARK MEMBER_ENERGY : 36.606156
Ignored bad PDB record found on line 533
REMARK MEMBER_SCORE : 36.606156
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 573
REMARK FILE_NAME : seed-1-5-1-0-0.crd
Ignored bad PDB record found on line 574
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 575
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 576
REMARK MEMBER_ENERGY : 37.492684
Ignored bad PDB record found on line 577
REMARK MEMBER_SCORE : 37.492684
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 617
REMARK FILE_NAME : seed-1-11-1-0-0.crd
Ignored bad PDB record found on line 618
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 619
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 620
REMARK MEMBER_ENERGY : 37.543279
Ignored bad PDB record found on line 621
REMARK MEMBER_SCORE : 37.543279
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 661
REMARK FILE_NAME : seed-1-1-0-0-0.crd
Ignored bad PDB record found on line 662
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 663
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 664
REMARK MEMBER_ENERGY : 37.596194
Ignored bad PDB record found on line 665
REMARK MEMBER_SCORE : 37.596194
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 705
REMARK FILE_NAME : seed-1-1-1-2-2.crd
Ignored bad PDB record found on line 706
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 707
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 708
REMARK MEMBER_ENERGY : 32.701887
Ignored bad PDB record found on line 709
REMARK MEMBER_SCORE : 32.701887
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 749
REMARK FILE_NAME : seed-1-6-0-1-3.crd
Ignored bad PDB record found on line 750
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 751
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 752
REMARK MEMBER_ENERGY : 33.843398
Ignored bad PDB record found on line 753
REMARK MEMBER_SCORE : 33.843398
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 793
REMARK FILE_NAME : seed-1-5-0-1-3.crd
Ignored bad PDB record found on line 794
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 795
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 796
REMARK MEMBER_ENERGY : 36.363176
Ignored bad PDB record found on line 797
REMARK MEMBER_SCORE : 36.363176
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 837
REMARK FILE_NAME : seed-1-24-0-1-3.crd
Ignored bad PDB record found on line 838
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 839
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 840
REMARK MEMBER_ENERGY : 36.418752
Ignored bad PDB record found on line 841
REMARK MEMBER_SCORE : 36.418752
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 881
REMARK FILE_NAME : seed-1-10-1-2-2.crd
Ignored bad PDB record found on line 882
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 883
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 884
REMARK MEMBER_ENERGY : 36.779265
Ignored bad PDB record found on line 885
REMARK MEMBER_SCORE : 36.779265
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 925
REMARK FILE_NAME : seed-1-23-0-2-2.crd
Ignored bad PDB record found on line 926
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 927
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 928
REMARK MEMBER_ENERGY : 36.989212
Ignored bad PDB record found on line 929
REMARK MEMBER_SCORE : 36.989212
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 969
REMARK FILE_NAME : seed-1-36-0-2-3.crd
Ignored bad PDB record found on line 970
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 971
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 972
REMARK MEMBER_ENERGY : 37.034704
Ignored bad PDB record found on line 973
REMARK MEMBER_SCORE : 37.034704
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1013
REMARK FILE_NAME : seed-1-21-0-1-3.crd
Ignored bad PDB record found on line 1014
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 1015
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 1016
REMARK MEMBER_ENERGY : 37.080709
Ignored bad PDB record found on line 1017
REMARK MEMBER_SCORE : 37.080709
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1057
REMARK FILE_NAME : seed-1-36-1-0-2.crd
Ignored bad PDB record found on line 1058
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1059
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 1060
REMARK MEMBER_ENERGY : 34.073430
Ignored bad PDB record found on line 1061
REMARK MEMBER_SCORE : 34.073430
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1101
REMARK FILE_NAME : seed-1-14-1-0-2.crd
Ignored bad PDB record found on line 1102
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1103
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 1104
REMARK MEMBER_ENERGY : 37.297133
Ignored bad PDB record found on line 1105
REMARK MEMBER_SCORE : 37.297133
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1145
REMARK FILE_NAME : seed-1-5-1-0-2.crd
Ignored bad PDB record found on line 1146
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1147
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 1148
REMARK MEMBER_ENERGY : 39.460591
Ignored bad PDB record found on line 1149
REMARK MEMBER_SCORE : 39.460591
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1189
REMARK FILE_NAME : seed-1-30-1-0-1.crd
Ignored bad PDB record found on line 1190
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1191
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 1192
REMARK MEMBER_ENERGY : 40.031449
Ignored bad PDB record found on line 1193
REMARK MEMBER_SCORE : 40.031449
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1233
REMARK FILE_NAME : seed-1-13-1-0-2.crd
Ignored bad PDB record found on line 1234
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1235
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 1236
REMARK MEMBER_ENERGY : 40.673878
Ignored bad PDB record found on line 1237
REMARK MEMBER_SCORE : 40.673878
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1277
REMARK FILE_NAME : seed-1-10-1-0-2.crd
Ignored bad PDB record found on line 1278
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1279
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 1280
REMARK MEMBER_ENERGY : 41.265135
Ignored bad PDB record found on line 1281
REMARK MEMBER_SCORE : 41.265135
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1321
REMARK FILE_NAME : seed-1-26-1-0-2.crd
Ignored bad PDB record found on line 1322
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1323
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 1324
REMARK MEMBER_ENERGY : 43.811695
Ignored bad PDB record found on line 1325
REMARK MEMBER_SCORE : 43.811695
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1365
REMARK FILE_NAME : seed-1-19-1-0-2.crd
Ignored bad PDB record found on line 1366
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1367
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 1368
REMARK MEMBER_ENERGY : 45.142367
Ignored bad PDB record found on line 1369
REMARK MEMBER_SCORE : 45.142367
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1409
REMARK FILE_NAME : seed-1-20-1-2-2.crd
Ignored bad PDB record found on line 1410
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1411
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 1412
REMARK MEMBER_ENERGY : 34.501591
Ignored bad PDB record found on line 1413
REMARK MEMBER_SCORE : 34.501591
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1453
REMARK FILE_NAME : seed-1-11-0-1-3.crd
Ignored bad PDB record found on line 1454
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1455
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 1456
REMARK MEMBER_ENERGY : 35.827777
Ignored bad PDB record found on line 1457
REMARK MEMBER_SCORE : 35.827777
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1497
REMARK FILE_NAME : seed-1-18-0-2-3.crd
Ignored bad PDB record found on line 1498
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1499
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 1500
REMARK MEMBER_ENERGY : 37.029907
Ignored bad PDB record found on line 1501
REMARK MEMBER_SCORE : 37.029907
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1541
REMARK FILE_NAME : seed-1-25-0-2-3.crd
Ignored bad PDB record found on line 1542
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1543
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 1544
REMARK MEMBER_ENERGY : 37.051024
Ignored bad PDB record found on line 1545
REMARK MEMBER_SCORE : 37.051024
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1585
REMARK FILE_NAME : seed-1-32-0-0-2.crd
Ignored bad PDB record found on line 1586
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1587
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 1588
REMARK MEMBER_ENERGY : 38.082227
Ignored bad PDB record found on line 1589
REMARK MEMBER_SCORE : 38.082227
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1629
REMARK FILE_NAME : seed-1-7-0-2-3.crd
Ignored bad PDB record found on line 1630
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1631
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 1632
REMARK MEMBER_ENERGY : 39.052995
Ignored bad PDB record found on line 1633
REMARK MEMBER_SCORE : 39.052995
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1673
REMARK FILE_NAME : seed-1-10-0-1-3.crd
Ignored bad PDB record found on line 1674
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1675
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 1676
REMARK MEMBER_ENERGY : 39.078330
Ignored bad PDB record found on line 1677
REMARK MEMBER_SCORE : 39.078330
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1717
REMARK FILE_NAME : seed-1-1-0-1-3.crd
Ignored bad PDB record found on line 1718
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1719
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 1720
REMARK MEMBER_ENERGY : 39.667021
Ignored bad PDB record found on line 1721
REMARK MEMBER_SCORE : 39.667021
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1761
REMARK FILE_NAME : seed-1-19-0-2-3.crd
Ignored bad PDB record found on line 1762
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 1763
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 1764
REMARK MEMBER_ENERGY : 35.793383
Ignored bad PDB record found on line 1765
REMARK MEMBER_SCORE : 35.793383
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1805
REMARK FILE_NAME : seed-1-4-0-1-3.crd
Ignored bad PDB record found on line 1806
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 1807
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 1808
REMARK MEMBER_ENERGY : 40.964160
Ignored bad PDB record found on line 1809
REMARK MEMBER_SCORE : 40.964160
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1849
REMARK FILE_NAME : seed-1-14-0-2-3.crd
Ignored bad PDB record found on line 1850
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 1851
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 1852
REMARK MEMBER_ENERGY : 46.406156
Ignored bad PDB record found on line 1853
REMARK MEMBER_SCORE : 46.406156
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1893
REMARK FILE_NAME : seed-1-15-0-2-3.crd
Ignored bad PDB record found on line 1894
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 1895
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 1896
REMARK MEMBER_ENERGY : 47.970192
Ignored bad PDB record found on line 1897
REMARK MEMBER_SCORE : 47.970192
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1937
REMARK FILE_NAME : seed-1-10-0-2-3.crd
Ignored bad PDB record found on line 1938
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 1939
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 1940
REMARK MEMBER_ENERGY : 48.539860
Ignored bad PDB record found on line 1941
REMARK MEMBER_SCORE : 48.539860
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 1981
REMARK FILE_NAME : seed-1-24-1-2-2.crd
Ignored bad PDB record found on line 1982
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 1983
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 1984
REMARK MEMBER_ENERGY : 49.936511
Ignored bad PDB record found on line 1985
REMARK MEMBER_SCORE : 49.936511
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2025
REMARK FILE_NAME : seed-1-16-0-2-3.crd
Ignored bad PDB record found on line 2026
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 2027
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 2028
REMARK MEMBER_ENERGY : 50.373229
Ignored bad PDB record found on line 2029
REMARK MEMBER_SCORE : 50.373229
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2069
REMARK FILE_NAME : seed-1-20-0-2-3.crd
Ignored bad PDB record found on line 2070
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 2071
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 2072
REMARK MEMBER_ENERGY : 51.951056
Ignored bad PDB record found on line 2073
REMARK MEMBER_SCORE : 51.951056
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2113
REMARK FILE_NAME : seed-1-10-1-2-3.crd
Ignored bad PDB record found on line 2114
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2115
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 2116
REMARK MEMBER_ENERGY : 36.335367
Ignored bad PDB record found on line 2117
REMARK MEMBER_SCORE : 36.335367
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2157
REMARK FILE_NAME : seed-1-29-0-0-0.crd
Ignored bad PDB record found on line 2158
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2159
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 2160
REMARK MEMBER_ENERGY : 37.459023
Ignored bad PDB record found on line 2161
REMARK MEMBER_SCORE : 37.459023
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2201
REMARK FILE_NAME : seed-1-9-1-2-2.crd
Ignored bad PDB record found on line 2202
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2203
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 2204
REMARK MEMBER_ENERGY : 38.706420
Ignored bad PDB record found on line 2205
REMARK MEMBER_SCORE : 38.706420
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2245
REMARK FILE_NAME : seed-1-32-1-2-3.crd
Ignored bad PDB record found on line 2246
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2247
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 2248
REMARK MEMBER_ENERGY : 39.273571
Ignored bad PDB record found on line 2249
REMARK MEMBER_SCORE : 39.273571
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2289
REMARK FILE_NAME : seed-1-29-0-1-0.crd
Ignored bad PDB record found on line 2290
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2291
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 2292
REMARK MEMBER_ENERGY : 42.401415
Ignored bad PDB record found on line 2293
REMARK MEMBER_SCORE : 42.401415
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2333
REMARK FILE_NAME : seed-1-18-1-2-0.crd
Ignored bad PDB record found on line 2334
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2335
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 2336
REMARK MEMBER_ENERGY : 66.652991
Ignored bad PDB record found on line 2337
REMARK MEMBER_SCORE : 66.652991
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2377
REMARK FILE_NAME : seed-1-38-1-2-0.crd
Ignored bad PDB record found on line 2378
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2379
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 2380
REMARK MEMBER_ENERGY : 66.845832
Ignored bad PDB record found on line 2381
REMARK MEMBER_SCORE : 66.845832
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2421
REMARK FILE_NAME : seed-1-29-0-1-1.crd
Ignored bad PDB record found on line 2422
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2423
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 2424
REMARK MEMBER_ENERGY : 72.704261
Ignored bad PDB record found on line 2425
REMARK MEMBER_SCORE : 72.704261
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2465
REMARK FILE_NAME : seed-1-23-1-2-3.crd
Ignored bad PDB record found on line 2466
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2467
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 2468
REMARK MEMBER_ENERGY : 36.380208
Ignored bad PDB record found on line 2469
REMARK MEMBER_SCORE : 36.380208
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2509
REMARK FILE_NAME : seed-1-26-1-2-3.crd
Ignored bad PDB record found on line 2510
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2511
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 2512
REMARK MEMBER_ENERGY : 40.153576
Ignored bad PDB record found on line 2513
REMARK MEMBER_SCORE : 40.153576
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2553
REMARK FILE_NAME : seed-1-13-0-3-2.crd
Ignored bad PDB record found on line 2554
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2555
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 2556
REMARK MEMBER_ENERGY : 40.158112
Ignored bad PDB record found on line 2557
REMARK MEMBER_SCORE : 40.158112
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2597
REMARK FILE_NAME : seed-1-23-1-2-2.crd
Ignored bad PDB record found on line 2598
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2599
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 2600
REMARK MEMBER_ENERGY : 43.289282
Ignored bad PDB record found on line 2601
REMARK MEMBER_SCORE : 43.289282
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2641
REMARK FILE_NAME : seed-1-21-0-0-1.crd
Ignored bad PDB record found on line 2642
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2643
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 2644
REMARK MEMBER_ENERGY : 48.986245
Ignored bad PDB record found on line 2645
REMARK MEMBER_SCORE : 48.986245
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2685
REMARK FILE_NAME : seed-1-20-0-0-1.crd
Ignored bad PDB record found on line 2686
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2687
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 2688
REMARK MEMBER_ENERGY : 53.095440
Ignored bad PDB record found on line 2689
REMARK MEMBER_SCORE : 53.095440
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2729
REMARK FILE_NAME : seed-1-39-0-0-1.crd
Ignored bad PDB record found on line 2730
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2731
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 2732
REMARK MEMBER_ENERGY : 58.114217
Ignored bad PDB record found on line 2733
REMARK MEMBER_SCORE : 58.114217
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2773
REMARK FILE_NAME : seed-1-25-1-2-0.crd
Ignored bad PDB record found on line 2774
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2775
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 2776
REMARK MEMBER_ENERGY : 65.947625
Ignored bad PDB record found on line 2777
REMARK MEMBER_SCORE : 65.947625
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2817
REMARK FILE_NAME : seed-1-23-0-3-1.crd
Ignored bad PDB record found on line 2818
REMARK CLUSTER_NUM : 8
Ignored bad PDB record found on line 2819
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 2820
REMARK MEMBER_ENERGY : 36.862726
Ignored bad PDB record found on line 2821
REMARK MEMBER_SCORE : 36.862726
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2861
REMARK FILE_NAME : seed-1-12-0-2-0.crd
Ignored bad PDB record found on line 2862
REMARK CLUSTER_NUM : 8
Ignored bad PDB record found on line 2863
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 2864
REMARK MEMBER_ENERGY : 46.511566
Ignored bad PDB record found on line 2865
REMARK MEMBER_SCORE : 46.511566
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2905
REMARK FILE_NAME : seed-1-1-0-1-1.crd
Ignored bad PDB record found on line 2906
REMARK CLUSTER_NUM : 8
Ignored bad PDB record found on line 2907
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 2908
REMARK MEMBER_ENERGY : 48.754207
Ignored bad PDB record found on line 2909
REMARK MEMBER_SCORE : 48.754207
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2949
REMARK FILE_NAME : seed-1-40-0-3-2.crd
Ignored bad PDB record found on line 2950
REMARK CLUSTER_NUM : 9
Ignored bad PDB record found on line 2951
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 2952
REMARK MEMBER_ENERGY : 37.215389
Ignored bad PDB record found on line 2953
REMARK MEMBER_SCORE : 37.215389
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 2993
REMARK FILE_NAME : seed-1-41-0-3-2.crd
Ignored bad PDB record found on line 2994
REMARK CLUSTER_NUM : 9
Ignored bad PDB record found on line 2995
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 2996
REMARK MEMBER_ENERGY : 40.014806
Ignored bad PDB record found on line 2997
REMARK MEMBER_SCORE : 40.014806
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3037
REMARK FILE_NAME : seed-1-41-0-3-1.crd
Ignored bad PDB record found on line 3038
REMARK CLUSTER_NUM : 9
Ignored bad PDB record found on line 3039
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 3040
REMARK MEMBER_ENERGY : 43.866460
Ignored bad PDB record found on line 3041
REMARK MEMBER_SCORE : 43.866460
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3081
REMARK FILE_NAME : seed-1-40-0-2-3.crd
Ignored bad PDB record found on line 3082
REMARK CLUSTER_NUM : 9
Ignored bad PDB record found on line 3083
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 3084
REMARK MEMBER_ENERGY : 45.801931
Ignored bad PDB record found on line 3085
REMARK MEMBER_SCORE : 45.801931
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3125
REMARK FILE_NAME : seed-1-6-0-3-1.crd
Ignored bad PDB record found on line 3126
REMARK CLUSTER_NUM : 10
Ignored bad PDB record found on line 3127
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 3128
REMARK MEMBER_ENERGY : 37.242217
Ignored bad PDB record found on line 3129
REMARK MEMBER_SCORE : 37.242217
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3169
REMARK FILE_NAME : seed-1-11-0-2-0.crd
Ignored bad PDB record found on line 3170
REMARK CLUSTER_NUM : 10
Ignored bad PDB record found on line 3171
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 3172
REMARK MEMBER_ENERGY : 37.719425
Ignored bad PDB record found on line 3173
REMARK MEMBER_SCORE : 37.719425
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3213
REMARK FILE_NAME : seed-1-22-0-2-0.crd
Ignored bad PDB record found on line 3214
REMARK CLUSTER_NUM : 10
Ignored bad PDB record found on line 3215
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 3216
REMARK MEMBER_ENERGY : 39.577621
Ignored bad PDB record found on line 3217
REMARK MEMBER_SCORE : 39.577621
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3257
REMARK FILE_NAME : seed-1-21-0-2-0.crd
Ignored bad PDB record found on line 3258
REMARK CLUSTER_NUM : 10
Ignored bad PDB record found on line 3259
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 3260
REMARK MEMBER_ENERGY : 41.347949
Ignored bad PDB record found on line 3261
REMARK MEMBER_SCORE : 41.347949
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3301
REMARK FILE_NAME : seed-1-4-0-2-0.crd
Ignored bad PDB record found on line 3302
REMARK CLUSTER_NUM : 10
Ignored bad PDB record found on line 3303
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 3304
REMARK MEMBER_ENERGY : 41.523412
Ignored bad PDB record found on line 3305
REMARK MEMBER_SCORE : 41.523412
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3345
REMARK FILE_NAME : seed-1-3-0-1-1.crd
Ignored bad PDB record found on line 3346
REMARK CLUSTER_NUM : 10
Ignored bad PDB record found on line 3347
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 3348
REMARK MEMBER_ENERGY : 46.404785
Ignored bad PDB record found on line 3349
REMARK MEMBER_SCORE : 46.404785
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3389
REMARK FILE_NAME : seed-1-21-0-2-1.crd
Ignored bad PDB record found on line 3390
REMARK CLUSTER_NUM : 10
Ignored bad PDB record found on line 3391
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 3392
REMARK MEMBER_ENERGY : 54.066128
Ignored bad PDB record found on line 3393
REMARK MEMBER_SCORE : 54.066128
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3433
REMARK FILE_NAME : seed-1-1-1-0-3.crd
Ignored bad PDB record found on line 3434
REMARK CLUSTER_NUM : 10
Ignored bad PDB record found on line 3435
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 3436
REMARK MEMBER_ENERGY : 55.846907
Ignored bad PDB record found on line 3437
REMARK MEMBER_SCORE : 55.846907
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3477
REMARK FILE_NAME : seed-1-3-0-3-2.crd
Ignored bad PDB record found on line 3478
REMARK CLUSTER_NUM : 11
Ignored bad PDB record found on line 3479
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 3480
REMARK MEMBER_ENERGY : 37.698524
Ignored bad PDB record found on line 3481
REMARK MEMBER_SCORE : 37.698524
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3521
REMARK FILE_NAME : seed-1-22-0-3-2.crd
Ignored bad PDB record found on line 3522
REMARK CLUSTER_NUM : 11
Ignored bad PDB record found on line 3523
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 3524
REMARK MEMBER_ENERGY : 43.069863
Ignored bad PDB record found on line 3525
REMARK MEMBER_SCORE : 43.069863
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3565
REMARK FILE_NAME : seed-1-5-0-3-2.crd
Ignored bad PDB record found on line 3566
REMARK CLUSTER_NUM : 11
Ignored bad PDB record found on line 3567
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 3568
REMARK MEMBER_ENERGY : 44.291351
Ignored bad PDB record found on line 3569
REMARK MEMBER_SCORE : 44.291351
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3609
REMARK FILE_NAME : seed-1-26-0-3-2.crd
Ignored bad PDB record found on line 3610
REMARK CLUSTER_NUM : 11
Ignored bad PDB record found on line 3611
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 3612
REMARK MEMBER_ENERGY : 61.140564
Ignored bad PDB record found on line 3613
REMARK MEMBER_SCORE : 61.140564
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3653
REMARK FILE_NAME : seed-1-7-0-3-2.crd
Ignored bad PDB record found on line 3654
REMARK CLUSTER_NUM : 11
Ignored bad PDB record found on line 3655
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 3656
REMARK MEMBER_ENERGY : 78.219705
Ignored bad PDB record found on line 3657
REMARK MEMBER_SCORE : 78.219705
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3697
REMARK FILE_NAME : seed-1-2-0-3-2.crd
Ignored bad PDB record found on line 3698
REMARK CLUSTER_NUM : 11
Ignored bad PDB record found on line 3699
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 3700
REMARK MEMBER_ENERGY : 78.424710
Ignored bad PDB record found on line 3701
REMARK MEMBER_SCORE : 78.424710
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3741
REMARK FILE_NAME : seed-1-50-0-0-2.crd
Ignored bad PDB record found on line 3742
REMARK CLUSTER_NUM : 12
Ignored bad PDB record found on line 3743
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 3744
REMARK MEMBER_ENERGY : 38.290970
Ignored bad PDB record found on line 3745
REMARK MEMBER_SCORE : 38.290970
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3785
REMARK FILE_NAME : seed-1-48-0-0-2.crd
Ignored bad PDB record found on line 3786
REMARK CLUSTER_NUM : 12
Ignored bad PDB record found on line 3787
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 3788
REMARK MEMBER_ENERGY : 40.093802
Ignored bad PDB record found on line 3789
REMARK MEMBER_SCORE : 40.093802
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3829
REMARK FILE_NAME : seed-1-50-0-0-1.crd
Ignored bad PDB record found on line 3830
REMARK CLUSTER_NUM : 12
Ignored bad PDB record found on line 3831
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 3832
REMARK MEMBER_ENERGY : 40.551635
Ignored bad PDB record found on line 3833
REMARK MEMBER_SCORE : 40.551635
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3873
REMARK FILE_NAME : seed-1-47-0-0-1.crd
Ignored bad PDB record found on line 3874
REMARK CLUSTER_NUM : 12
Ignored bad PDB record found on line 3875
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 3876
REMARK MEMBER_ENERGY : 41.551415
Ignored bad PDB record found on line 3877
REMARK MEMBER_SCORE : 41.551415
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3917
REMARK FILE_NAME : seed-1-49-0-0-2.crd
Ignored bad PDB record found on line 3918
REMARK CLUSTER_NUM : 12
Ignored bad PDB record found on line 3919
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 3920
REMARK MEMBER_ENERGY : 41.754952
Ignored bad PDB record found on line 3921
REMARK MEMBER_SCORE : 41.754952
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 3961
REMARK FILE_NAME : seed-1-50-0-1-2.crd
Ignored bad PDB record found on line 3962
REMARK CLUSTER_NUM : 12
Ignored bad PDB record found on line 3963
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 3964
REMARK MEMBER_ENERGY : 42.621128
Ignored bad PDB record found on line 3965
REMARK MEMBER_SCORE : 42.621128
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4005
REMARK FILE_NAME : seed-1-47-0-0-2.crd
Ignored bad PDB record found on line 4006
REMARK CLUSTER_NUM : 12
Ignored bad PDB record found on line 4007
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 4008
REMARK MEMBER_ENERGY : 43.923638
Ignored bad PDB record found on line 4009
REMARK MEMBER_SCORE : 43.923638
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4049
REMARK FILE_NAME : seed-1-47-0-3-2.crd
Ignored bad PDB record found on line 4050
REMARK CLUSTER_NUM : 12
Ignored bad PDB record found on line 4051
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 4052
REMARK MEMBER_ENERGY : 44.760605
Ignored bad PDB record found on line 4053
REMARK MEMBER_SCORE : 44.760605
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4093
REMARK FILE_NAME : seed-1-33-0-1-2.crd
Ignored bad PDB record found on line 4094
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 4095
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 4096
REMARK MEMBER_ENERGY : 38.850256
Ignored bad PDB record found on line 4097
REMARK MEMBER_SCORE : 38.850256
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4137
REMARK FILE_NAME : seed-1-41-0-1-3.crd
Ignored bad PDB record found on line 4138
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 4139
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 4140
REMARK MEMBER_ENERGY : 40.600947
Ignored bad PDB record found on line 4141
REMARK MEMBER_SCORE : 40.600947
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4181
REMARK FILE_NAME : seed-1-40-0-0-2.crd
Ignored bad PDB record found on line 4182
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 4183
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 4184
REMARK MEMBER_ENERGY : 40.783373
Ignored bad PDB record found on line 4185
REMARK MEMBER_SCORE : 40.783373
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4225
REMARK FILE_NAME : seed-1-40-0-1-2.crd
Ignored bad PDB record found on line 4226
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 4227
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 4228
REMARK MEMBER_ENERGY : 40.830098
Ignored bad PDB record found on line 4229
REMARK MEMBER_SCORE : 40.830098
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4269
REMARK FILE_NAME : seed-1-34-0-0-2.crd
Ignored bad PDB record found on line 4270
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 4271
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 4272
REMARK MEMBER_ENERGY : 41.672889
Ignored bad PDB record found on line 4273
REMARK MEMBER_SCORE : 41.672889
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4313
REMARK FILE_NAME : seed-1-41-0-2-3.crd
Ignored bad PDB record found on line 4314
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 4315
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 4316
REMARK MEMBER_ENERGY : 42.706921
Ignored bad PDB record found on line 4317
REMARK MEMBER_SCORE : 42.706921
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4357
REMARK FILE_NAME : seed-1-47-1-0-3.crd
Ignored bad PDB record found on line 4358
REMARK CLUSTER_NUM : 14
Ignored bad PDB record found on line 4359
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 4360
REMARK MEMBER_ENERGY : 39.171088
Ignored bad PDB record found on line 4361
REMARK MEMBER_SCORE : 39.171088
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4401
REMARK FILE_NAME : seed-1-47-1-0-0.crd
Ignored bad PDB record found on line 4402
REMARK CLUSTER_NUM : 14
Ignored bad PDB record found on line 4403
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 4404
REMARK MEMBER_ENERGY : 43.382969
Ignored bad PDB record found on line 4405
REMARK MEMBER_SCORE : 43.382969
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4445
REMARK FILE_NAME : seed-1-48-1-0-0.crd
Ignored bad PDB record found on line 4446
REMARK CLUSTER_NUM : 14
Ignored bad PDB record found on line 4447
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 4448
REMARK MEMBER_ENERGY : 46.528936
Ignored bad PDB record found on line 4449
REMARK MEMBER_SCORE : 46.528936
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4489
REMARK FILE_NAME : seed-1-34-1-0-0.crd
Ignored bad PDB record found on line 4490
REMARK CLUSTER_NUM : 15
Ignored bad PDB record found on line 4491
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 4492
REMARK MEMBER_ENERGY : 39.548403
Ignored bad PDB record found on line 4493
REMARK MEMBER_SCORE : 39.548403
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4533
REMARK FILE_NAME : seed-1-40-0-3-0.crd
Ignored bad PDB record found on line 4534
REMARK CLUSTER_NUM : 15
Ignored bad PDB record found on line 4535
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 4536
REMARK MEMBER_ENERGY : 41.626400
Ignored bad PDB record found on line 4537
REMARK MEMBER_SCORE : 41.626400
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4577
REMARK FILE_NAME : seed-1-41-0-0-0.crd
Ignored bad PDB record found on line 4578
REMARK CLUSTER_NUM : 15
Ignored bad PDB record found on line 4579
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 4580
REMARK MEMBER_ENERGY : 44.374222
Ignored bad PDB record found on line 4581
REMARK MEMBER_SCORE : 44.374222
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4621
REMARK FILE_NAME : seed-1-6-1-0-3.crd
Ignored bad PDB record found on line 4622
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4623
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 4624
REMARK MEMBER_ENERGY : 39.573313
Ignored bad PDB record found on line 4625
REMARK MEMBER_SCORE : 39.573313
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4665
REMARK FILE_NAME : seed-1-21-1-0-3.crd
Ignored bad PDB record found on line 4666
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4667
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 4668
REMARK MEMBER_ENERGY : 40.022768
Ignored bad PDB record found on line 4669
REMARK MEMBER_SCORE : 40.022768
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4709
REMARK FILE_NAME : seed-1-13-1-0-3.crd
Ignored bad PDB record found on line 4710
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4711
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 4712
REMARK MEMBER_ENERGY : 40.605144
Ignored bad PDB record found on line 4713
REMARK MEMBER_SCORE : 40.605144
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4753
REMARK FILE_NAME : seed-1-3-0-2-1.crd
Ignored bad PDB record found on line 4754
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4755
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 4756
REMARK MEMBER_ENERGY : 47.539223
Ignored bad PDB record found on line 4757
REMARK MEMBER_SCORE : 47.539223
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4797
REMARK FILE_NAME : seed-1-24-1-0-2.crd
Ignored bad PDB record found on line 4798
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4799
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 4800
REMARK MEMBER_ENERGY : 67.200732
Ignored bad PDB record found on line 4801
REMARK MEMBER_SCORE : 67.200732
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4841
REMARK FILE_NAME : seed-1-45-0-1-3.crd
Ignored bad PDB record found on line 4842
REMARK CLUSTER_NUM : 17
Ignored bad PDB record found on line 4843
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 4844
REMARK MEMBER_ENERGY : 39.732474
Ignored bad PDB record found on line 4845
REMARK MEMBER_SCORE : 39.732474
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4885
REMARK FILE_NAME : seed-1-48-0-2-3.crd
Ignored bad PDB record found on line 4886
REMARK CLUSTER_NUM : 18
Ignored bad PDB record found on line 4887
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 4888
REMARK MEMBER_ENERGY : 40.356721
Ignored bad PDB record found on line 4889
REMARK MEMBER_SCORE : 40.356721
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4929
REMARK FILE_NAME : seed-1-47-0-2-3.crd
Ignored bad PDB record found on line 4930
REMARK CLUSTER_NUM : 18
Ignored bad PDB record found on line 4931
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 4932
REMARK MEMBER_ENERGY : 42.142035
Ignored bad PDB record found on line 4933
REMARK MEMBER_SCORE : 42.142035
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 4973
REMARK FILE_NAME : seed-1-49-0-1-2.crd
Ignored bad PDB record found on line 4974
REMARK CLUSTER_NUM : 18
Ignored bad PDB record found on line 4975
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 4976
REMARK MEMBER_ENERGY : 42.504050
Ignored bad PDB record found on line 4977
REMARK MEMBER_SCORE : 42.504050
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5017
REMARK FILE_NAME : seed-1-47-1-2-3.crd
Ignored bad PDB record found on line 5018
REMARK CLUSTER_NUM : 18
Ignored bad PDB record found on line 5019
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 5020
REMARK MEMBER_ENERGY : 43.860862
Ignored bad PDB record found on line 5021
REMARK MEMBER_SCORE : 43.860862
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5061
REMARK FILE_NAME : seed-1-50-0-1-3.crd
Ignored bad PDB record found on line 5062
REMARK CLUSTER_NUM : 18
Ignored bad PDB record found on line 5063
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 5064
REMARK MEMBER_ENERGY : 44.245296
Ignored bad PDB record found on line 5065
REMARK MEMBER_SCORE : 44.245296
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5105
REMARK FILE_NAME : seed-1-47-0-1-3.crd
Ignored bad PDB record found on line 5106
REMARK CLUSTER_NUM : 18
Ignored bad PDB record found on line 5107
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 5108
REMARK MEMBER_ENERGY : 45.756291
Ignored bad PDB record found on line 5109
REMARK MEMBER_SCORE : 45.756291
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5149
REMARK FILE_NAME : seed-1-40-0-0-0.crd
Ignored bad PDB record found on line 5150
REMARK CLUSTER_NUM : 19
Ignored bad PDB record found on line 5151
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5152
REMARK MEMBER_ENERGY : 40.362979
Ignored bad PDB record found on line 5153
REMARK MEMBER_SCORE : 40.362979
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5193
REMARK FILE_NAME : seed-1-33-0-3-0.crd
Ignored bad PDB record found on line 5194
REMARK CLUSTER_NUM : 19
Ignored bad PDB record found on line 5195
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 5196
REMARK MEMBER_ENERGY : 42.464427
Ignored bad PDB record found on line 5197
REMARK MEMBER_SCORE : 42.464427
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5237
REMARK FILE_NAME : seed-1-34-0-3-0.crd
Ignored bad PDB record found on line 5238
REMARK CLUSTER_NUM : 19
Ignored bad PDB record found on line 5239
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 5240
REMARK MEMBER_ENERGY : 42.469017
Ignored bad PDB record found on line 5241
REMARK MEMBER_SCORE : 42.469017
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5281
REMARK FILE_NAME : seed-1-33-0-2-0.crd
Ignored bad PDB record found on line 5282
REMARK CLUSTER_NUM : 19
Ignored bad PDB record found on line 5283
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 5284
REMARK MEMBER_ENERGY : 44.057971
Ignored bad PDB record found on line 5285
REMARK MEMBER_SCORE : 44.057971
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5325
REMARK FILE_NAME : seed-1-34-0-1-1.crd
Ignored bad PDB record found on line 5326
REMARK CLUSTER_NUM : 20
Ignored bad PDB record found on line 5327
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5328
REMARK MEMBER_ENERGY : 40.402984
Ignored bad PDB record found on line 5329
REMARK MEMBER_SCORE : 40.402984
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5369
REMARK FILE_NAME : seed-1-50-0-3-1.crd
Ignored bad PDB record found on line 5370
REMARK CLUSTER_NUM : 21
Ignored bad PDB record found on line 5371
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5372
REMARK MEMBER_ENERGY : 40.435669
Ignored bad PDB record found on line 5373
REMARK MEMBER_SCORE : 40.435669
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5413
REMARK FILE_NAME : seed-1-48-0-3-1.crd
Ignored bad PDB record found on line 5414
REMARK CLUSTER_NUM : 21
Ignored bad PDB record found on line 5415
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 5416
REMARK MEMBER_ENERGY : 41.712047
Ignored bad PDB record found on line 5417
REMARK MEMBER_SCORE : 41.712047
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5457
REMARK FILE_NAME : seed-1-49-0-3-1.crd
Ignored bad PDB record found on line 5458
REMARK CLUSTER_NUM : 21
Ignored bad PDB record found on line 5459
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 5460
REMARK MEMBER_ENERGY : 41.723665
Ignored bad PDB record found on line 5461
REMARK MEMBER_SCORE : 41.723665
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5501
REMARK FILE_NAME : seed-1-49-1-2-2.crd
Ignored bad PDB record found on line 5502
REMARK CLUSTER_NUM : 21
Ignored bad PDB record found on line 5503
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 5504
REMARK MEMBER_ENERGY : 41.941193
Ignored bad PDB record found on line 5505
REMARK MEMBER_SCORE : 41.941193
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5545
REMARK FILE_NAME : seed-1-50-1-2-2.crd
Ignored bad PDB record found on line 5546
REMARK CLUSTER_NUM : 21
Ignored bad PDB record found on line 5547
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 5548
REMARK MEMBER_ENERGY : 42.520783
Ignored bad PDB record found on line 5549
REMARK MEMBER_SCORE : 42.520783
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5589
REMARK FILE_NAME : seed-1-50-0-2-2.crd
Ignored bad PDB record found on line 5590
REMARK CLUSTER_NUM : 21
Ignored bad PDB record found on line 5591
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 5592
REMARK MEMBER_ENERGY : 45.431361
Ignored bad PDB record found on line 5593
REMARK MEMBER_SCORE : 45.431361
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5633
REMARK FILE_NAME : seed-1-47-1-2-2.crd
Ignored bad PDB record found on line 5634
REMARK CLUSTER_NUM : 21
Ignored bad PDB record found on line 5635
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 5636
REMARK MEMBER_ENERGY : 45.695655
Ignored bad PDB record found on line 5637
REMARK MEMBER_SCORE : 45.695655
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5677
REMARK FILE_NAME : seed-1-50-0-2-0.crd
Ignored bad PDB record found on line 5678
REMARK CLUSTER_NUM : 22
Ignored bad PDB record found on line 5679
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5680
REMARK MEMBER_ENERGY : 40.628325
Ignored bad PDB record found on line 5681
REMARK MEMBER_SCORE : 40.628325
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5721
REMARK FILE_NAME : seed-1-40-0-1-1.crd
Ignored bad PDB record found on line 5722
REMARK CLUSTER_NUM : 23
Ignored bad PDB record found on line 5723
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5724
REMARK MEMBER_ENERGY : 40.791881
Ignored bad PDB record found on line 5725
REMARK MEMBER_SCORE : 40.791881
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5765
REMARK FILE_NAME : seed-1-40-1-2-1.crd
Ignored bad PDB record found on line 5766
REMARK CLUSTER_NUM : 23
Ignored bad PDB record found on line 5767
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 5768
REMARK MEMBER_ENERGY : 44.186608
Ignored bad PDB record found on line 5769
REMARK MEMBER_SCORE : 44.186608
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5809
REMARK FILE_NAME : seed-1-41-0-1-0.crd
Ignored bad PDB record found on line 5810
REMARK CLUSTER_NUM : 24
Ignored bad PDB record found on line 5811
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5812
REMARK MEMBER_ENERGY : 40.890340
Ignored bad PDB record found on line 5813
REMARK MEMBER_SCORE : 40.890340
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5853
REMARK FILE_NAME : seed-1-49-0-0-1.crd
Ignored bad PDB record found on line 5854
REMARK CLUSTER_NUM : 25
Ignored bad PDB record found on line 5855
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5856
REMARK MEMBER_ENERGY : 41.069145
Ignored bad PDB record found on line 5857
REMARK MEMBER_SCORE : 41.069145
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5897
REMARK FILE_NAME : seed-1-48-0-0-1.crd
Ignored bad PDB record found on line 5898
REMARK CLUSTER_NUM : 25
Ignored bad PDB record found on line 5899
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 5900
REMARK MEMBER_ENERGY : 45.686391
Ignored bad PDB record found on line 5901
REMARK MEMBER_SCORE : 45.686391
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5941
REMARK FILE_NAME : seed-1-49-1-2-3.crd
Ignored bad PDB record found on line 5942
REMARK CLUSTER_NUM : 25
Ignored bad PDB record found on line 5943
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 5944
REMARK MEMBER_ENERGY : 46.527783
Ignored bad PDB record found on line 5945
REMARK MEMBER_SCORE : 46.527783
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 5985
REMARK FILE_NAME : seed-1-33-0-0-1.crd
Ignored bad PDB record found on line 5986
REMARK CLUSTER_NUM : 26
Ignored bad PDB record found on line 5987
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5988
REMARK MEMBER_ENERGY : 41.246337
Ignored bad PDB record found on line 5989
REMARK MEMBER_SCORE : 41.246337
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6029
REMARK FILE_NAME : seed-1-50-0-3-0.crd
Ignored bad PDB record found on line 6030
REMARK CLUSTER_NUM : 27
Ignored bad PDB record found on line 6031
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 6032
REMARK MEMBER_ENERGY : 41.347225
Ignored bad PDB record found on line 6033
REMARK MEMBER_SCORE : 41.347225
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6073
REMARK FILE_NAME : seed-1-49-0-2-1.crd
Ignored bad PDB record found on line 6074
REMARK CLUSTER_NUM : 27
Ignored bad PDB record found on line 6075
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 6076
REMARK MEMBER_ENERGY : 41.724451
Ignored bad PDB record found on line 6077
REMARK MEMBER_SCORE : 41.724451
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6117
REMARK FILE_NAME : seed-1-49-0-3-0.crd
Ignored bad PDB record found on line 6118
REMARK CLUSTER_NUM : 27
Ignored bad PDB record found on line 6119
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 6120
REMARK MEMBER_ENERGY : 41.850481
Ignored bad PDB record found on line 6121
REMARK MEMBER_SCORE : 41.850481
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6161
REMARK FILE_NAME : seed-1-12-0-2-3.crd
Ignored bad PDB record found on line 6162
REMARK CLUSTER_NUM : 28
Ignored bad PDB record found on line 6163
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 6164
REMARK MEMBER_ENERGY : 41.390058
Ignored bad PDB record found on line 6165
REMARK MEMBER_SCORE : 41.390058
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6205
REMARK FILE_NAME : seed-1-7-0-1-1.crd
Ignored bad PDB record found on line 6206
REMARK CLUSTER_NUM : 28
Ignored bad PDB record found on line 6207
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 6208
REMARK MEMBER_ENERGY : 41.934014
Ignored bad PDB record found on line 6209
REMARK MEMBER_SCORE : 41.934014
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6249
REMARK FILE_NAME : seed-1-14-0-0-2.crd
Ignored bad PDB record found on line 6250
REMARK CLUSTER_NUM : 28
Ignored bad PDB record found on line 6251
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 6252
REMARK MEMBER_ENERGY : 42.028779
Ignored bad PDB record found on line 6253
REMARK MEMBER_SCORE : 42.028779
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6293
REMARK FILE_NAME : seed-1-13-0-0-1.crd
Ignored bad PDB record found on line 6294
REMARK CLUSTER_NUM : 28
Ignored bad PDB record found on line 6295
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 6296
REMARK MEMBER_ENERGY : 42.692822
Ignored bad PDB record found on line 6297
REMARK MEMBER_SCORE : 42.692822
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6337
REMARK FILE_NAME : seed-1-21-0-1-1.crd
Ignored bad PDB record found on line 6338
REMARK CLUSTER_NUM : 28
Ignored bad PDB record found on line 6339
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 6340
REMARK MEMBER_ENERGY : 42.733490
Ignored bad PDB record found on line 6341
REMARK MEMBER_SCORE : 42.733490
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6381
REMARK FILE_NAME : seed-1-13-0-2-3.crd
Ignored bad PDB record found on line 6382
REMARK CLUSTER_NUM : 28
Ignored bad PDB record found on line 6383
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 6384
REMARK MEMBER_ENERGY : 42.992868
Ignored bad PDB record found on line 6385
REMARK MEMBER_SCORE : 42.992868
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6425
REMARK FILE_NAME : seed-1-23-0-0-2.crd
Ignored bad PDB record found on line 6426
REMARK CLUSTER_NUM : 28
Ignored bad PDB record found on line 6427
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 6428
REMARK MEMBER_ENERGY : 43.070481
Ignored bad PDB record found on line 6429
REMARK MEMBER_SCORE : 43.070481
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6469
REMARK FILE_NAME : seed-1-11-0-0-2.crd
Ignored bad PDB record found on line 6470
REMARK CLUSTER_NUM : 28
Ignored bad PDB record found on line 6471
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 6472
REMARK MEMBER_ENERGY : 43.812859
Ignored bad PDB record found on line 6473
REMARK MEMBER_SCORE : 43.812859
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6513
REMARK FILE_NAME : seed-1-24-1-0-1.crd
Ignored bad PDB record found on line 6514
REMARK CLUSTER_NUM : 29
Ignored bad PDB record found on line 6515
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 6516
REMARK MEMBER_ENERGY : 41.396060
Ignored bad PDB record found on line 6517
REMARK MEMBER_SCORE : 41.396060
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6557
REMARK FILE_NAME : seed-1-38-1-0-1.crd
Ignored bad PDB record found on line 6558
REMARK CLUSTER_NUM : 29
Ignored bad PDB record found on line 6559
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 6560
REMARK MEMBER_ENERGY : 43.757652
Ignored bad PDB record found on line 6561
REMARK MEMBER_SCORE : 43.757652
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6601
REMARK FILE_NAME : seed-1-25-1-0-1.crd
Ignored bad PDB record found on line 6602
REMARK CLUSTER_NUM : 29
Ignored bad PDB record found on line 6603
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 6604
REMARK MEMBER_ENERGY : 48.222009
Ignored bad PDB record found on line 6605
REMARK MEMBER_SCORE : 48.222009
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6645
REMARK FILE_NAME : seed-1-15-1-0-1.crd
Ignored bad PDB record found on line 6646
REMARK CLUSTER_NUM : 29
Ignored bad PDB record found on line 6647
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 6648
REMARK MEMBER_ENERGY : 58.164330
Ignored bad PDB record found on line 6649
REMARK MEMBER_SCORE : 58.164330
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6689
REMARK FILE_NAME : seed-1-45-0-0-2.crd
Ignored bad PDB record found on line 6690
REMARK CLUSTER_NUM : 30
Ignored bad PDB record found on line 6691
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 6692
REMARK MEMBER_ENERGY : 41.401538
Ignored bad PDB record found on line 6693
REMARK MEMBER_SCORE : 41.401538
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6733
REMARK FILE_NAME : seed-1-50-1-2-0.crd
Ignored bad PDB record found on line 6734
REMARK CLUSTER_NUM : 31
Ignored bad PDB record found on line 6735
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 6736
REMARK MEMBER_ENERGY : 41.426450
Ignored bad PDB record found on line 6737
REMARK MEMBER_SCORE : 41.426450
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6777
REMARK FILE_NAME : seed-1-34-0-1-0.crd
Ignored bad PDB record found on line 6778
REMARK CLUSTER_NUM : 32
Ignored bad PDB record found on line 6779
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 6780
REMARK MEMBER_ENERGY : 41.738930
Ignored bad PDB record found on line 6781
REMARK MEMBER_SCORE : 41.738930
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6821
REMARK FILE_NAME : seed-1-48-0-3-3.crd
Ignored bad PDB record found on line 6822
REMARK CLUSTER_NUM : 33
Ignored bad PDB record found on line 6823
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 6824
REMARK MEMBER_ENERGY : 41.768920
Ignored bad PDB record found on line 6825
REMARK MEMBER_SCORE : 41.768920
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6865
REMARK FILE_NAME : seed-1-47-0-0-3.crd
Ignored bad PDB record found on line 6866
REMARK CLUSTER_NUM : 33
Ignored bad PDB record found on line 6867
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 6868
REMARK MEMBER_ENERGY : 41.816076
Ignored bad PDB record found on line 6869
REMARK MEMBER_SCORE : 41.816076
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6909
REMARK FILE_NAME : seed-1-50-0-0-3.crd
Ignored bad PDB record found on line 6910
REMARK CLUSTER_NUM : 33
Ignored bad PDB record found on line 6911
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 6912
REMARK MEMBER_ENERGY : 43.117641
Ignored bad PDB record found on line 6913
REMARK MEMBER_SCORE : 43.117641
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6953
REMARK FILE_NAME : seed-1-42-1-2-1.crd
Ignored bad PDB record found on line 6954
REMARK CLUSTER_NUM : 34
Ignored bad PDB record found on line 6955
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 6956
REMARK MEMBER_ENERGY : 41.929306
Ignored bad PDB record found on line 6957
REMARK MEMBER_SCORE : 41.929306
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 6997
REMARK FILE_NAME : seed-1-46-0-0-3.crd
Ignored bad PDB record found on line 6998
REMARK CLUSTER_NUM : 34
Ignored bad PDB record found on line 6999
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7000
REMARK MEMBER_ENERGY : 42.982035
Ignored bad PDB record found on line 7001
REMARK MEMBER_SCORE : 42.982035
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7041
REMARK FILE_NAME : seed-1-49-0-2-0.crd
Ignored bad PDB record found on line 7042
REMARK CLUSTER_NUM : 35
Ignored bad PDB record found on line 7043
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7044
REMARK MEMBER_ENERGY : 41.969380
Ignored bad PDB record found on line 7045
REMARK MEMBER_SCORE : 41.969380
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7085
REMARK FILE_NAME : seed-1-49-0-3-3.crd
Ignored bad PDB record found on line 7086
REMARK CLUSTER_NUM : 35
Ignored bad PDB record found on line 7087
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7088
REMARK MEMBER_ENERGY : 43.434925
Ignored bad PDB record found on line 7089
REMARK MEMBER_SCORE : 43.434925
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7129
REMARK FILE_NAME : seed-1-48-1-0-1.crd
Ignored bad PDB record found on line 7130
REMARK CLUSTER_NUM : 36
Ignored bad PDB record found on line 7131
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7132
REMARK MEMBER_ENERGY : 41.987066
Ignored bad PDB record found on line 7133
REMARK MEMBER_SCORE : 41.987066
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7173
REMARK FILE_NAME : seed-1-34-0-1-2.crd
Ignored bad PDB record found on line 7174
REMARK CLUSTER_NUM : 37
Ignored bad PDB record found on line 7175
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7176
REMARK MEMBER_ENERGY : 42.023969
Ignored bad PDB record found on line 7177
REMARK MEMBER_SCORE : 42.023969
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7217
REMARK FILE_NAME : seed-1-41-0-0-1.crd
Ignored bad PDB record found on line 7218
REMARK CLUSTER_NUM : 37
Ignored bad PDB record found on line 7219
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7220
REMARK MEMBER_ENERGY : 44.258019
Ignored bad PDB record found on line 7221
REMARK MEMBER_SCORE : 44.258019
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7261
REMARK FILE_NAME : seed-1-41-1-2-0.crd
Ignored bad PDB record found on line 7262
REMARK CLUSTER_NUM : 37
Ignored bad PDB record found on line 7263
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 7264
REMARK MEMBER_ENERGY : 44.410538
Ignored bad PDB record found on line 7265
REMARK MEMBER_SCORE : 44.410538
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7305
REMARK FILE_NAME : seed-1-34-0-0-1.crd
Ignored bad PDB record found on line 7306
REMARK CLUSTER_NUM : 37
Ignored bad PDB record found on line 7307
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 7308
REMARK MEMBER_ENERGY : 44.554694
Ignored bad PDB record found on line 7309
REMARK MEMBER_SCORE : 44.554694
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7349
REMARK FILE_NAME : seed-1-41-1-0-3.crd
Ignored bad PDB record found on line 7350
REMARK CLUSTER_NUM : 38
Ignored bad PDB record found on line 7351
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7352
REMARK MEMBER_ENERGY : 42.055022
Ignored bad PDB record found on line 7353
REMARK MEMBER_SCORE : 42.055022
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7393
REMARK FILE_NAME : seed-1-40-1-0-3.crd
Ignored bad PDB record found on line 7394
REMARK CLUSTER_NUM : 38
Ignored bad PDB record found on line 7395
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7396
REMARK MEMBER_ENERGY : 47.372622
Ignored bad PDB record found on line 7397
REMARK MEMBER_SCORE : 47.372622
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7437
REMARK FILE_NAME : seed-1-33-1-0-3.crd
Ignored bad PDB record found on line 7438
REMARK CLUSTER_NUM : 38
Ignored bad PDB record found on line 7439
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 7440
REMARK MEMBER_ENERGY : 47.694847
Ignored bad PDB record found on line 7441
REMARK MEMBER_SCORE : 47.694847
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7481
REMARK FILE_NAME : seed-1-34-0-2-1.crd
Ignored bad PDB record found on line 7482
REMARK CLUSTER_NUM : 39
Ignored bad PDB record found on line 7483
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7484
REMARK MEMBER_ENERGY : 42.122531
Ignored bad PDB record found on line 7485
REMARK MEMBER_SCORE : 42.122531
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7525
REMARK FILE_NAME : seed-1-41-0-2-1.crd
Ignored bad PDB record found on line 7526
REMARK CLUSTER_NUM : 39
Ignored bad PDB record found on line 7527
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7528
REMARK MEMBER_ENERGY : 44.259819
Ignored bad PDB record found on line 7529
REMARK MEMBER_SCORE : 44.259819
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7569
REMARK FILE_NAME : seed-1-33-0-2-1.crd
Ignored bad PDB record found on line 7570
REMARK CLUSTER_NUM : 39
Ignored bad PDB record found on line 7571
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 7572
REMARK MEMBER_ENERGY : 44.728817
Ignored bad PDB record found on line 7573
REMARK MEMBER_SCORE : 44.728817
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7613
REMARK FILE_NAME : seed-1-41-1-0-0.crd
Ignored bad PDB record found on line 7614
REMARK CLUSTER_NUM : 39
Ignored bad PDB record found on line 7615
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 7616
REMARK MEMBER_ENERGY : 45.624612
Ignored bad PDB record found on line 7617
REMARK MEMBER_SCORE : 45.624612
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7657
REMARK FILE_NAME : seed-1-46-0-1-1.crd
Ignored bad PDB record found on line 7658
REMARK CLUSTER_NUM : 40
Ignored bad PDB record found on line 7659
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7660
REMARK MEMBER_ENERGY : 42.208706
Ignored bad PDB record found on line 7661
REMARK MEMBER_SCORE : 42.208706
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7701
REMARK FILE_NAME : seed-1-44-0-0-1.crd
Ignored bad PDB record found on line 7702
REMARK CLUSTER_NUM : 40
Ignored bad PDB record found on line 7703
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7704
REMARK MEMBER_ENERGY : 44.948618
Ignored bad PDB record found on line 7705
REMARK MEMBER_SCORE : 44.948618
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7745
REMARK FILE_NAME : seed-1-42-0-0-1.crd
Ignored bad PDB record found on line 7746
REMARK CLUSTER_NUM : 40
Ignored bad PDB record found on line 7747
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 7748
REMARK MEMBER_ENERGY : 46.053803
Ignored bad PDB record found on line 7749
REMARK MEMBER_SCORE : 46.053803
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7789
REMARK FILE_NAME : seed-1-46-0-1-2.crd
Ignored bad PDB record found on line 7790
REMARK CLUSTER_NUM : 40
Ignored bad PDB record found on line 7791
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 7792
REMARK MEMBER_ENERGY : 47.344770
Ignored bad PDB record found on line 7793
REMARK MEMBER_SCORE : 47.344770
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7833
REMARK FILE_NAME : seed-1-40-0-0-1.crd
Ignored bad PDB record found on line 7834
REMARK CLUSTER_NUM : 41
Ignored bad PDB record found on line 7835
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7836
REMARK MEMBER_ENERGY : 42.469512
Ignored bad PDB record found on line 7837
REMARK MEMBER_SCORE : 42.469512
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7877
REMARK FILE_NAME : seed-1-33-1-2-3.crd
Ignored bad PDB record found on line 7878
REMARK CLUSTER_NUM : 41
Ignored bad PDB record found on line 7879
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7880
REMARK MEMBER_ENERGY : 44.796978
Ignored bad PDB record found on line 7881
REMARK MEMBER_SCORE : 44.796978
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7921
REMARK FILE_NAME : seed-1-34-1-2-3.crd
Ignored bad PDB record found on line 7922
REMARK CLUSTER_NUM : 41
Ignored bad PDB record found on line 7923
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 7924
REMARK MEMBER_ENERGY : 45.251158
Ignored bad PDB record found on line 7925
REMARK MEMBER_SCORE : 45.251158
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 7965
REMARK FILE_NAME : seed-1-45-0-0-0.crd
Ignored bad PDB record found on line 7966
REMARK CLUSTER_NUM : 42
Ignored bad PDB record found on line 7967
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7968
REMARK MEMBER_ENERGY : 42.592713
Ignored bad PDB record found on line 7969
REMARK MEMBER_SCORE : 42.592713
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8009
REMARK FILE_NAME : seed-1-45-0-2-1.crd
Ignored bad PDB record found on line 8010
REMARK CLUSTER_NUM : 42
Ignored bad PDB record found on line 8011
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 8012
REMARK MEMBER_ENERGY : 43.457003
Ignored bad PDB record found on line 8013
REMARK MEMBER_SCORE : 43.457003
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8053
REMARK FILE_NAME : seed-1-45-0-1-1.crd
Ignored bad PDB record found on line 8054
REMARK CLUSTER_NUM : 42
Ignored bad PDB record found on line 8055
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 8056
REMARK MEMBER_ENERGY : 43.934256
Ignored bad PDB record found on line 8057
REMARK MEMBER_SCORE : 43.934256
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8097
REMARK FILE_NAME : seed-1-41-1-2-2.crd
Ignored bad PDB record found on line 8098
REMARK CLUSTER_NUM : 43
Ignored bad PDB record found on line 8099
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8100
REMARK MEMBER_ENERGY : 42.627330
Ignored bad PDB record found on line 8101
REMARK MEMBER_SCORE : 42.627330
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8141
REMARK FILE_NAME : seed-1-33-1-2-2.crd
Ignored bad PDB record found on line 8142
REMARK CLUSTER_NUM : 43
Ignored bad PDB record found on line 8143
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 8144
REMARK MEMBER_ENERGY : 43.699381
Ignored bad PDB record found on line 8145
REMARK MEMBER_SCORE : 43.699381
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8185
REMARK FILE_NAME : seed-1-34-1-2-2.crd
Ignored bad PDB record found on line 8186
REMARK CLUSTER_NUM : 43
Ignored bad PDB record found on line 8187
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 8188
REMARK MEMBER_ENERGY : 45.425323
Ignored bad PDB record found on line 8189
REMARK MEMBER_SCORE : 45.425323
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8229
REMARK FILE_NAME : seed-1-9-1-0-0.crd
Ignored bad PDB record found on line 8230
REMARK CLUSTER_NUM : 44
Ignored bad PDB record found on line 8231
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8232
REMARK MEMBER_ENERGY : 42.656707
Ignored bad PDB record found on line 8233
REMARK MEMBER_SCORE : 42.656707
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8273
REMARK FILE_NAME : seed-1-38-1-0-0.crd
Ignored bad PDB record found on line 8274
REMARK CLUSTER_NUM : 44
Ignored bad PDB record found on line 8275
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 8276
REMARK MEMBER_ENERGY : 42.759804
Ignored bad PDB record found on line 8277
REMARK MEMBER_SCORE : 42.759804
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8317
REMARK FILE_NAME : seed-1-21-1-0-2.crd
Ignored bad PDB record found on line 8318
REMARK CLUSTER_NUM : 44
Ignored bad PDB record found on line 8319
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 8320
REMARK MEMBER_ENERGY : 47.069016
Ignored bad PDB record found on line 8321
REMARK MEMBER_SCORE : 47.069016
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8361
REMARK FILE_NAME : seed-1-19-0-0-0.crd
Ignored bad PDB record found on line 8362
REMARK CLUSTER_NUM : 44
Ignored bad PDB record found on line 8363
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 8364
REMARK MEMBER_ENERGY : 48.512068
Ignored bad PDB record found on line 8365
REMARK MEMBER_SCORE : 48.512068
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8405
REMARK FILE_NAME : seed-1-10-0-2-0.crd
Ignored bad PDB record found on line 8406
REMARK CLUSTER_NUM : 44
Ignored bad PDB record found on line 8407
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 8408
REMARK MEMBER_ENERGY : 50.092520
Ignored bad PDB record found on line 8409
REMARK MEMBER_SCORE : 50.092520
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8449
REMARK FILE_NAME : seed-1-28-0-3-0.crd
Ignored bad PDB record found on line 8450
REMARK CLUSTER_NUM : 44
Ignored bad PDB record found on line 8451
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 8452
REMARK MEMBER_ENERGY : 52.066559
Ignored bad PDB record found on line 8453
REMARK MEMBER_SCORE : 52.066559
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8493
REMARK FILE_NAME : seed-1-37-1-0-0.crd
Ignored bad PDB record found on line 8494
REMARK CLUSTER_NUM : 44
Ignored bad PDB record found on line 8495
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 8496
REMARK MEMBER_ENERGY : 52.890942
Ignored bad PDB record found on line 8497
REMARK MEMBER_SCORE : 52.890942
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8537
REMARK FILE_NAME : seed-1-36-1-0-0.crd
Ignored bad PDB record found on line 8538
REMARK CLUSTER_NUM : 44
Ignored bad PDB record found on line 8539
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 8540
REMARK MEMBER_ENERGY : 110.630772
Ignored bad PDB record found on line 8541
REMARK MEMBER_SCORE : 110.630772
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8581
REMARK FILE_NAME : seed-1-45-0-2-2.crd
Ignored bad PDB record found on line 8582
REMARK CLUSTER_NUM : 45
Ignored bad PDB record found on line 8583
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8584
REMARK MEMBER_ENERGY : 42.720632
Ignored bad PDB record found on line 8585
REMARK MEMBER_SCORE : 42.720632
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8625
REMARK FILE_NAME : seed-1-50-0-3-3.crd
Ignored bad PDB record found on line 8626
REMARK CLUSTER_NUM : 46
Ignored bad PDB record found on line 8627
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8628
REMARK MEMBER_ENERGY : 42.840352
Ignored bad PDB record found on line 8629
REMARK MEMBER_SCORE : 42.840352
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8669
REMARK FILE_NAME : seed-1-45-1-0-1.crd
Ignored bad PDB record found on line 8670
REMARK CLUSTER_NUM : 47
Ignored bad PDB record found on line 8671
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8672
REMARK MEMBER_ENERGY : 42.850490
Ignored bad PDB record found on line 8673
REMARK MEMBER_SCORE : 42.850490
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8713
REMARK FILE_NAME : seed-1-46-1-2-2.crd
Ignored bad PDB record found on line 8714
REMARK CLUSTER_NUM : 48
Ignored bad PDB record found on line 8715
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8716
REMARK MEMBER_ENERGY : 42.891259
Ignored bad PDB record found on line 8717
REMARK MEMBER_SCORE : 42.891259
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8757
REMARK FILE_NAME : seed-1-44-1-2-2.crd
Ignored bad PDB record found on line 8758
REMARK CLUSTER_NUM : 48
Ignored bad PDB record found on line 8759
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 8760
REMARK MEMBER_ENERGY : 43.438946
Ignored bad PDB record found on line 8761
REMARK MEMBER_SCORE : 43.438946
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8801
REMARK FILE_NAME : seed-1-44-0-1-2.crd
Ignored bad PDB record found on line 8802
REMARK CLUSTER_NUM : 48
Ignored bad PDB record found on line 8803
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 8804
REMARK MEMBER_ENERGY : 45.322462
Ignored bad PDB record found on line 8805
REMARK MEMBER_SCORE : 45.322462
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8845
REMARK FILE_NAME : seed-1-42-1-2-2.crd
Ignored bad PDB record found on line 8846
REMARK CLUSTER_NUM : 48
Ignored bad PDB record found on line 8847
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 8848
REMARK MEMBER_ENERGY : 46.477461
Ignored bad PDB record found on line 8849
REMARK MEMBER_SCORE : 46.477461
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
Ignored bad PDB record found on line 8889
REMARK FILE_NAME : seed-1-40-0-1-0.crd
Ignored bad PDB record found on line 8890
REMARK CLUSTER_NUM : 49
Ignored bad PDB record found on line 8891
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8892
REMARK MEMBER_ENERGY : 42.986016
Ignored bad PDB record found on line 8893
REMARK MEMBER_SCORE : 42.986016
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
27 messages similar to the above omitted
> open /Users/charlottexia/Desktop/ligand2_C2Cl/files/receptor.pdb
Summary of feedback from opening
/Users/charlottexia/Desktop/ligand2_C2Cl/files/receptor.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK NONE *
Ignored bad PDB record found on line 2
REMARK DATE: 3/10/26 3:31:41 CREATED BY USER: swissdock
Chain information for receptor.pdb #2
---
Chain | Description
? | No description available
Computing secondary structure
> set bgColor white
> ui tool show ViewDock
> open /Users/charlottexia/Desktop/ligand2_C2Cl/result.dock4.pdb format
> swissdock
> hbonds #3.1-203 restrict #1#!2 & (main|ligand) reveal true
245 hydrogen bonds found
> hide #1#3.1#!2 cartoons
> hide #1 models
> ui mousemode right label
> label (#2::chain_id=' '&:253)
> label (#2::chain_id=' '&:169)
> label (#2::chain_id=' '&:278)
> label (#2::chain_id=' '&:277)
> save /Users/charlottexia/Desktop/image2.png supersample 3
> close
> open /Users/charlottexia/Desktop/ligand3_C8methyl/result.dock4.pdb
Summary of feedback from opening
/Users/charlottexia/Desktop/ligand3_C8methyl/result.dock4.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK FILE_NAME : seed-1-1-1-0-0.crd
Ignored bad PDB record found on line 2
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 3
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 4
REMARK MEMBER_ENERGY : 37.088000
Ignored bad PDB record found on line 5
REMARK MEMBER_SCORE : 37.088000
17 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 95
REMARK FILE_NAME : seed-1-10-1-0-3.crd
Ignored bad PDB record found on line 96
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 97
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 98
REMARK MEMBER_ENERGY : 43.593340
Ignored bad PDB record found on line 99
REMARK MEMBER_SCORE : 43.593340
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 142
REMARK FILE_NAME : seed-1-3-1-0-0.crd
Ignored bad PDB record found on line 143
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 144
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 145
REMARK MEMBER_ENERGY : 43.599217
Ignored bad PDB record found on line 146
REMARK MEMBER_SCORE : 43.599217
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 189
REMARK FILE_NAME : seed-1-3-0-0-3.crd
Ignored bad PDB record found on line 190
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 191
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 192
REMARK MEMBER_ENERGY : 43.711521
Ignored bad PDB record found on line 193
REMARK MEMBER_SCORE : 43.711521
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 236
REMARK FILE_NAME : seed-1-23-0-2-1.crd
Ignored bad PDB record found on line 237
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 238
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 239
REMARK MEMBER_ENERGY : 48.040508
Ignored bad PDB record found on line 240
REMARK MEMBER_SCORE : 48.040508
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 283
REMARK FILE_NAME : seed-1-6-1-0-3.crd
Ignored bad PDB record found on line 284
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 285
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 286
REMARK MEMBER_ENERGY : 49.670564
Ignored bad PDB record found on line 287
REMARK MEMBER_SCORE : 49.670564
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 330
REMARK FILE_NAME : seed-1-5-0-0-3.crd
Ignored bad PDB record found on line 331
REMARK CLUSTER_NUM : 0
Ignored bad PDB record found on line 332
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 333
REMARK MEMBER_ENERGY : 49.871066
Ignored bad PDB record found on line 334
REMARK MEMBER_SCORE : 49.871066
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 377
REMARK FILE_NAME : seed-1-9-1-0-1.crd
Ignored bad PDB record found on line 378
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 379
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 380
REMARK MEMBER_ENERGY : 39.910681
Ignored bad PDB record found on line 381
REMARK MEMBER_SCORE : 39.910681
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 424
REMARK FILE_NAME : seed-1-28-1-0-1.crd
Ignored bad PDB record found on line 425
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 426
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 427
REMARK MEMBER_ENERGY : 41.203423
Ignored bad PDB record found on line 428
REMARK MEMBER_SCORE : 41.203423
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 471
REMARK FILE_NAME : seed-1-29-1-0-2.crd
Ignored bad PDB record found on line 472
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 473
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 474
REMARK MEMBER_ENERGY : 41.209212
Ignored bad PDB record found on line 475
REMARK MEMBER_SCORE : 41.209212
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 518
REMARK FILE_NAME : seed-1-12-0-0-2.crd
Ignored bad PDB record found on line 519
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 520
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 521
REMARK MEMBER_ENERGY : 41.446154
Ignored bad PDB record found on line 522
REMARK MEMBER_SCORE : 41.446154
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 565
REMARK FILE_NAME : seed-1-18-1-0-1.crd
Ignored bad PDB record found on line 566
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 567
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 568
REMARK MEMBER_ENERGY : 41.457066
Ignored bad PDB record found on line 569
REMARK MEMBER_SCORE : 41.457066
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 612
REMARK FILE_NAME : seed-1-5-0-0-2.crd
Ignored bad PDB record found on line 613
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 614
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 615
REMARK MEMBER_ENERGY : 41.542982
Ignored bad PDB record found on line 616
REMARK MEMBER_SCORE : 41.542982
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 659
REMARK FILE_NAME : seed-1-2-0-0-1.crd
Ignored bad PDB record found on line 660
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 661
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 662
REMARK MEMBER_ENERGY : 41.746360
Ignored bad PDB record found on line 663
REMARK MEMBER_SCORE : 41.746360
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 706
REMARK FILE_NAME : seed-1-18-0-0-1.crd
Ignored bad PDB record found on line 707
REMARK CLUSTER_NUM : 1
Ignored bad PDB record found on line 708
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 709
REMARK MEMBER_ENERGY : 41.801215
Ignored bad PDB record found on line 710
REMARK MEMBER_SCORE : 41.801215
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 753
REMARK FILE_NAME : seed-1-24-0-3-2.crd
Ignored bad PDB record found on line 754
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 755
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 756
REMARK MEMBER_ENERGY : 40.712411
Ignored bad PDB record found on line 757
REMARK MEMBER_SCORE : 40.712411
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 800
REMARK FILE_NAME : seed-1-13-0-2-2.crd
Ignored bad PDB record found on line 801
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 802
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 803
REMARK MEMBER_ENERGY : 40.726356
Ignored bad PDB record found on line 804
REMARK MEMBER_SCORE : 40.726356
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 847
REMARK FILE_NAME : seed-1-6-0-2-2.crd
Ignored bad PDB record found on line 848
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 849
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 850
REMARK MEMBER_ENERGY : 44.209772
Ignored bad PDB record found on line 851
REMARK MEMBER_SCORE : 44.209772
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 894
REMARK FILE_NAME : seed-1-16-0-2-2.crd
Ignored bad PDB record found on line 895
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 896
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 897
REMARK MEMBER_ENERGY : 45.141599
Ignored bad PDB record found on line 898
REMARK MEMBER_SCORE : 45.141599
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 941
REMARK FILE_NAME : seed-1-7-0-2-2.crd
Ignored bad PDB record found on line 942
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 943
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 944
REMARK MEMBER_ENERGY : 45.530919
Ignored bad PDB record found on line 945
REMARK MEMBER_SCORE : 45.530919
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 988
REMARK FILE_NAME : seed-1-1-0-2-2.crd
Ignored bad PDB record found on line 989
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 990
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 991
REMARK MEMBER_ENERGY : 48.108476
Ignored bad PDB record found on line 992
REMARK MEMBER_SCORE : 48.108476
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1035
REMARK FILE_NAME : seed-1-17-0-2-2.crd
Ignored bad PDB record found on line 1036
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 1037
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 1038
REMARK MEMBER_ENERGY : 48.128155
Ignored bad PDB record found on line 1039
REMARK MEMBER_SCORE : 48.128155
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1082
REMARK FILE_NAME : seed-1-29-0-2-2.crd
Ignored bad PDB record found on line 1083
REMARK CLUSTER_NUM : 2
Ignored bad PDB record found on line 1084
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 1085
REMARK MEMBER_ENERGY : 48.251732
Ignored bad PDB record found on line 1086
REMARK MEMBER_SCORE : 48.251732
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1129
REMARK FILE_NAME : seed-1-10-0-0-1.crd
Ignored bad PDB record found on line 1130
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1131
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 1132
REMARK MEMBER_ENERGY : 42.179662
Ignored bad PDB record found on line 1133
REMARK MEMBER_SCORE : 42.179662
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1176
REMARK FILE_NAME : seed-1-32-0-1-1.crd
Ignored bad PDB record found on line 1177
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1178
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 1179
REMARK MEMBER_ENERGY : 47.413529
Ignored bad PDB record found on line 1180
REMARK MEMBER_SCORE : 47.413529
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1223
REMARK FILE_NAME : seed-1-29-0-1-0.crd
Ignored bad PDB record found on line 1224
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1225
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 1226
REMARK MEMBER_ENERGY : 47.803744
Ignored bad PDB record found on line 1227
REMARK MEMBER_SCORE : 47.803744
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1270
REMARK FILE_NAME : seed-1-12-0-1-1.crd
Ignored bad PDB record found on line 1271
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1272
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 1273
REMARK MEMBER_ENERGY : 49.827805
Ignored bad PDB record found on line 1274
REMARK MEMBER_SCORE : 49.827805
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1317
REMARK FILE_NAME : seed-1-33-0-1-1.crd
Ignored bad PDB record found on line 1318
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1319
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 1320
REMARK MEMBER_ENERGY : 52.181591
Ignored bad PDB record found on line 1321
REMARK MEMBER_SCORE : 52.181591
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1364
REMARK FILE_NAME : seed-1-15-1-2-3.crd
Ignored bad PDB record found on line 1365
REMARK CLUSTER_NUM : 3
Ignored bad PDB record found on line 1366
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 1367
REMARK MEMBER_ENERGY : 58.598014
Ignored bad PDB record found on line 1368
REMARK MEMBER_SCORE : 58.598014
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1411
REMARK FILE_NAME : seed-1-15-1-2-2.crd
Ignored bad PDB record found on line 1412
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1413
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 1414
REMARK MEMBER_ENERGY : 42.187037
Ignored bad PDB record found on line 1415
REMARK MEMBER_SCORE : 42.187037
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1458
REMARK FILE_NAME : seed-1-32-0-1-3.crd
Ignored bad PDB record found on line 1459
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1460
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 1461
REMARK MEMBER_ENERGY : 42.567316
Ignored bad PDB record found on line 1462
REMARK MEMBER_SCORE : 42.567316
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1505
REMARK FILE_NAME : seed-1-24-1-2-2.crd
Ignored bad PDB record found on line 1506
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1507
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 1508
REMARK MEMBER_ENERGY : 43.410374
Ignored bad PDB record found on line 1509
REMARK MEMBER_SCORE : 43.410374
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1552
REMARK FILE_NAME : seed-1-2-1-2-2.crd
Ignored bad PDB record found on line 1553
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1554
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 1555
REMARK MEMBER_ENERGY : 43.441036
Ignored bad PDB record found on line 1556
REMARK MEMBER_SCORE : 43.441036
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1599
REMARK FILE_NAME : seed-1-19-0-1-3.crd
Ignored bad PDB record found on line 1600
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1601
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 1602
REMARK MEMBER_ENERGY : 49.740374
Ignored bad PDB record found on line 1603
REMARK MEMBER_SCORE : 49.740374
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1646
REMARK FILE_NAME : seed-1-34-0-1-3.crd
Ignored bad PDB record found on line 1647
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1648
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 1649
REMARK MEMBER_ENERGY : 50.234982
Ignored bad PDB record found on line 1650
REMARK MEMBER_SCORE : 50.234982
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1693
REMARK FILE_NAME : seed-1-28-1-2-0.crd
Ignored bad PDB record found on line 1694
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1695
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 1696
REMARK MEMBER_ENERGY : 50.349089
Ignored bad PDB record found on line 1697
REMARK MEMBER_SCORE : 50.349089
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1740
REMARK FILE_NAME : seed-1-28-0-1-3.crd
Ignored bad PDB record found on line 1741
REMARK CLUSTER_NUM : 4
Ignored bad PDB record found on line 1742
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 1743
REMARK MEMBER_ENERGY : 50.780986
Ignored bad PDB record found on line 1744
REMARK MEMBER_SCORE : 50.780986
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1787
REMARK FILE_NAME : seed-1-11-0-0-1.crd
Ignored bad PDB record found on line 1788
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 1789
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 1790
REMARK MEMBER_ENERGY : 42.757579
Ignored bad PDB record found on line 1791
REMARK MEMBER_SCORE : 42.757579
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1834
REMARK FILE_NAME : seed-1-7-1-2-2.crd
Ignored bad PDB record found on line 1835
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 1836
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 1837
REMARK MEMBER_ENERGY : 42.763042
Ignored bad PDB record found on line 1838
REMARK MEMBER_SCORE : 42.763042
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1881
REMARK FILE_NAME : seed-1-35-1-2-3.crd
Ignored bad PDB record found on line 1882
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 1883
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 1884
REMARK MEMBER_ENERGY : 42.971213
Ignored bad PDB record found on line 1885
REMARK MEMBER_SCORE : 42.971213
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1928
REMARK FILE_NAME : seed-1-18-1-2-3.crd
Ignored bad PDB record found on line 1929
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 1930
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 1931
REMARK MEMBER_ENERGY : 44.781901
Ignored bad PDB record found on line 1932
REMARK MEMBER_SCORE : 44.781901
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 1975
REMARK FILE_NAME : seed-1-4-1-2-2.crd
Ignored bad PDB record found on line 1976
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 1977
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 1978
REMARK MEMBER_ENERGY : 46.149949
Ignored bad PDB record found on line 1979
REMARK MEMBER_SCORE : 46.149949
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2022
REMARK FILE_NAME : seed-1-1-1-2-3.crd
Ignored bad PDB record found on line 2023
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 2024
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 2025
REMARK MEMBER_ENERGY : 46.170148
Ignored bad PDB record found on line 2026
REMARK MEMBER_SCORE : 46.170148
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2069
REMARK FILE_NAME : seed-1-11-1-2-2.crd
Ignored bad PDB record found on line 2070
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 2071
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 2072
REMARK MEMBER_ENERGY : 46.181851
Ignored bad PDB record found on line 2073
REMARK MEMBER_SCORE : 46.181851
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2116
REMARK FILE_NAME : seed-1-26-1-2-3.crd
Ignored bad PDB record found on line 2117
REMARK CLUSTER_NUM : 5
Ignored bad PDB record found on line 2118
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 2119
REMARK MEMBER_ENERGY : 50.190629
Ignored bad PDB record found on line 2120
REMARK MEMBER_SCORE : 50.190629
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2163
REMARK FILE_NAME : seed-1-31-0-0-1.crd
Ignored bad PDB record found on line 2164
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2165
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 2166
REMARK MEMBER_ENERGY : 45.517033
Ignored bad PDB record found on line 2167
REMARK MEMBER_SCORE : 45.517033
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2210
REMARK FILE_NAME : seed-1-30-1-0-1.crd
Ignored bad PDB record found on line 2211
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2212
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 2213
REMARK MEMBER_ENERGY : 47.021731
Ignored bad PDB record found on line 2214
REMARK MEMBER_SCORE : 47.021731
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2257
REMARK FILE_NAME : seed-1-36-0-0-1.crd
Ignored bad PDB record found on line 2258
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2259
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 2260
REMARK MEMBER_ENERGY : 48.513967
Ignored bad PDB record found on line 2261
REMARK MEMBER_SCORE : 48.513967
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2304
REMARK FILE_NAME : seed-1-36-1-0-1.crd
Ignored bad PDB record found on line 2305
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2306
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 2307
REMARK MEMBER_ENERGY : 50.493682
Ignored bad PDB record found on line 2308
REMARK MEMBER_SCORE : 50.493682
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2351
REMARK FILE_NAME : seed-1-30-0-0-2.crd
Ignored bad PDB record found on line 2352
REMARK CLUSTER_NUM : 6
Ignored bad PDB record found on line 2353
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 2354
REMARK MEMBER_ENERGY : 52.047342
Ignored bad PDB record found on line 2355
REMARK MEMBER_SCORE : 52.047342
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2398
REMARK FILE_NAME : seed-1-23-0-0-3.crd
Ignored bad PDB record found on line 2399
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2400
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 2401
REMARK MEMBER_ENERGY : 46.034973
Ignored bad PDB record found on line 2402
REMARK MEMBER_SCORE : 46.034973
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2445
REMARK FILE_NAME : seed-1-22-0-0-0.crd
Ignored bad PDB record found on line 2446
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2447
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 2448
REMARK MEMBER_ENERGY : 47.858091
Ignored bad PDB record found on line 2449
REMARK MEMBER_SCORE : 47.858091
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2492
REMARK FILE_NAME : seed-1-22-0-0-3.crd
Ignored bad PDB record found on line 2493
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2494
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 2495
REMARK MEMBER_ENERGY : 49.400042
Ignored bad PDB record found on line 2496
REMARK MEMBER_SCORE : 49.400042
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2539
REMARK FILE_NAME : seed-1-20-0-3-3.crd
Ignored bad PDB record found on line 2540
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2541
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 2542
REMARK MEMBER_ENERGY : 50.336320
Ignored bad PDB record found on line 2543
REMARK MEMBER_SCORE : 50.336320
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2586
REMARK FILE_NAME : seed-1-11-0-3-0.crd
Ignored bad PDB record found on line 2587
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2588
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 2589
REMARK MEMBER_ENERGY : 50.923908
Ignored bad PDB record found on line 2590
REMARK MEMBER_SCORE : 50.923908
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2633
REMARK FILE_NAME : seed-1-10-0-3-3.crd
Ignored bad PDB record found on line 2634
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2635
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 2636
REMARK MEMBER_ENERGY : 51.051097
Ignored bad PDB record found on line 2637
REMARK MEMBER_SCORE : 51.051097
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2680
REMARK FILE_NAME : seed-1-9-0-3-0.crd
Ignored bad PDB record found on line 2681
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2682
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 2683
REMARK MEMBER_ENERGY : 51.432893
Ignored bad PDB record found on line 2684
REMARK MEMBER_SCORE : 51.432893
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2727
REMARK FILE_NAME : seed-1-3-0-3-3.crd
Ignored bad PDB record found on line 2728
REMARK CLUSTER_NUM : 7
Ignored bad PDB record found on line 2729
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 2730
REMARK MEMBER_ENERGY : 51.500892
Ignored bad PDB record found on line 2731
REMARK MEMBER_SCORE : 51.500892
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2774
REMARK FILE_NAME : seed-1-36-1-2-1.crd
Ignored bad PDB record found on line 2775
REMARK CLUSTER_NUM : 8
Ignored bad PDB record found on line 2776
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 2777
REMARK MEMBER_ENERGY : 46.786619
Ignored bad PDB record found on line 2778
REMARK MEMBER_SCORE : 46.786619
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2821
REMARK FILE_NAME : seed-1-37-1-2-2.crd
Ignored bad PDB record found on line 2822
REMARK CLUSTER_NUM : 8
Ignored bad PDB record found on line 2823
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 2824
REMARK MEMBER_ENERGY : 47.995457
Ignored bad PDB record found on line 2825
REMARK MEMBER_SCORE : 47.995457
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2868
REMARK FILE_NAME : seed-1-37-0-3-0.crd
Ignored bad PDB record found on line 2869
REMARK CLUSTER_NUM : 9
Ignored bad PDB record found on line 2870
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 2871
REMARK MEMBER_ENERGY : 47.667286
Ignored bad PDB record found on line 2872
REMARK MEMBER_SCORE : 47.667286
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2915
REMARK FILE_NAME : seed-1-31-0-3-1.crd
Ignored bad PDB record found on line 2916
REMARK CLUSTER_NUM : 9
Ignored bad PDB record found on line 2917
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 2918
REMARK MEMBER_ENERGY : 48.266611
Ignored bad PDB record found on line 2919
REMARK MEMBER_SCORE : 48.266611
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 2962
REMARK FILE_NAME : seed-1-36-0-2-1.crd
Ignored bad PDB record found on line 2963
REMARK CLUSTER_NUM : 9
Ignored bad PDB record found on line 2964
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 2965
REMARK MEMBER_ENERGY : 49.464796
Ignored bad PDB record found on line 2966
REMARK MEMBER_SCORE : 49.464796
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3009
REMARK FILE_NAME : seed-1-37-0-2-0.crd
Ignored bad PDB record found on line 3010
REMARK CLUSTER_NUM : 9
Ignored bad PDB record found on line 3011
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 3012
REMARK MEMBER_ENERGY : 51.586884
Ignored bad PDB record found on line 3013
REMARK MEMBER_SCORE : 51.586884
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3056
REMARK FILE_NAME : seed-1-31-0-3-0.crd
Ignored bad PDB record found on line 3057
REMARK CLUSTER_NUM : 9
Ignored bad PDB record found on line 3058
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 3059
REMARK MEMBER_ENERGY : 54.179783
Ignored bad PDB record found on line 3060
REMARK MEMBER_SCORE : 54.179783
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3103
REMARK FILE_NAME : seed-1-37-0-3-1.crd
Ignored bad PDB record found on line 3104
REMARK CLUSTER_NUM : 9
Ignored bad PDB record found on line 3105
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 3106
REMARK MEMBER_ENERGY : 54.428531
Ignored bad PDB record found on line 3107
REMARK MEMBER_SCORE : 54.428531
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3150
REMARK FILE_NAME : seed-1-38-0-2-1.crd
Ignored bad PDB record found on line 3151
REMARK CLUSTER_NUM : 10
Ignored bad PDB record found on line 3152
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 3153
REMARK MEMBER_ENERGY : 47.667289
Ignored bad PDB record found on line 3154
REMARK MEMBER_SCORE : 47.667289
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3197
REMARK FILE_NAME : seed-1-40-1-2-2.crd
Ignored bad PDB record found on line 3198
REMARK CLUSTER_NUM : 10
Ignored bad PDB record found on line 3199
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 3200
REMARK MEMBER_ENERGY : 49.221023
Ignored bad PDB record found on line 3201
REMARK MEMBER_SCORE : 49.221023
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3244
REMARK FILE_NAME : seed-1-39-0-2-1.crd
Ignored bad PDB record found on line 3245
REMARK CLUSTER_NUM : 10
Ignored bad PDB record found on line 3246
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 3247
REMARK MEMBER_ENERGY : 49.290770
Ignored bad PDB record found on line 3248
REMARK MEMBER_SCORE : 49.290770
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3291
REMARK FILE_NAME : seed-1-42-0-2-1.crd
Ignored bad PDB record found on line 3292
REMARK CLUSTER_NUM : 10
Ignored bad PDB record found on line 3293
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 3294
REMARK MEMBER_ENERGY : 49.318951
Ignored bad PDB record found on line 3295
REMARK MEMBER_SCORE : 49.318951
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3338
REMARK FILE_NAME : seed-1-31-1-2-3.crd
Ignored bad PDB record found on line 3339
REMARK CLUSTER_NUM : 11
Ignored bad PDB record found on line 3340
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 3341
REMARK MEMBER_ENERGY : 47.892950
Ignored bad PDB record found on line 3342
REMARK MEMBER_SCORE : 47.892950
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3385
REMARK FILE_NAME : seed-1-37-0-1-0.crd
Ignored bad PDB record found on line 3386
REMARK CLUSTER_NUM : 11
Ignored bad PDB record found on line 3387
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 3388
REMARK MEMBER_ENERGY : 49.338103
Ignored bad PDB record found on line 3389
REMARK MEMBER_SCORE : 49.338103
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3432
REMARK FILE_NAME : seed-1-37-0-2-3.crd
Ignored bad PDB record found on line 3433
REMARK CLUSTER_NUM : 11
Ignored bad PDB record found on line 3434
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 3435
REMARK MEMBER_ENERGY : 51.151680
Ignored bad PDB record found on line 3436
REMARK MEMBER_SCORE : 51.151680
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3479
REMARK FILE_NAME : seed-1-36-1-2-0.crd
Ignored bad PDB record found on line 3480
REMARK CLUSTER_NUM : 11
Ignored bad PDB record found on line 3481
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 3482
REMARK MEMBER_ENERGY : 52.676299
Ignored bad PDB record found on line 3483
REMARK MEMBER_SCORE : 52.676299
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3526
REMARK FILE_NAME : seed-1-37-1-2-3.crd
Ignored bad PDB record found on line 3527
REMARK CLUSTER_NUM : 11
Ignored bad PDB record found on line 3528
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 3529
REMARK MEMBER_ENERGY : 52.742793
Ignored bad PDB record found on line 3530
REMARK MEMBER_SCORE : 52.742793
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3573
REMARK FILE_NAME : seed-1-36-1-2-2.crd
Ignored bad PDB record found on line 3574
REMARK CLUSTER_NUM : 12
Ignored bad PDB record found on line 3575
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 3576
REMARK MEMBER_ENERGY : 47.914593
Ignored bad PDB record found on line 3577
REMARK MEMBER_SCORE : 47.914593
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3620
REMARK FILE_NAME : seed-1-28-0-2-3.crd
Ignored bad PDB record found on line 3621
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 3622
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 3623
REMARK MEMBER_ENERGY : 47.960934
Ignored bad PDB record found on line 3624
REMARK MEMBER_SCORE : 47.960934
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3667
REMARK FILE_NAME : seed-1-8-0-2-3.crd
Ignored bad PDB record found on line 3668
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 3669
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 3670
REMARK MEMBER_ENERGY : 47.994305
Ignored bad PDB record found on line 3671
REMARK MEMBER_SCORE : 47.994305
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3714
REMARK FILE_NAME : seed-1-16-1-2-3.crd
Ignored bad PDB record found on line 3715
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 3716
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 3717
REMARK MEMBER_ENERGY : 48.076724
Ignored bad PDB record found on line 3718
REMARK MEMBER_SCORE : 48.076724
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3761
REMARK FILE_NAME : seed-1-35-0-1-0.crd
Ignored bad PDB record found on line 3762
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 3763
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 3764
REMARK MEMBER_ENERGY : 49.583840
Ignored bad PDB record found on line 3765
REMARK MEMBER_SCORE : 49.583840
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3808
REMARK FILE_NAME : seed-1-18-0-1-0.crd
Ignored bad PDB record found on line 3809
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 3810
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 3811
REMARK MEMBER_ENERGY : 50.474537
Ignored bad PDB record found on line 3812
REMARK MEMBER_SCORE : 50.474537
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3855
REMARK FILE_NAME : seed-1-29-0-2-0.crd
Ignored bad PDB record found on line 3856
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 3857
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 3858
REMARK MEMBER_ENERGY : 54.521850
Ignored bad PDB record found on line 3859
REMARK MEMBER_SCORE : 54.521850
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3902
REMARK FILE_NAME : seed-1-15-0-1-3.crd
Ignored bad PDB record found on line 3903
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 3904
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 3905
REMARK MEMBER_ENERGY : 55.232796
Ignored bad PDB record found on line 3906
REMARK MEMBER_SCORE : 55.232796
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3949
REMARK FILE_NAME : seed-1-4-0-1-0.crd
Ignored bad PDB record found on line 3950
REMARK CLUSTER_NUM : 13
Ignored bad PDB record found on line 3951
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 3952
REMARK MEMBER_ENERGY : 55.453733
Ignored bad PDB record found on line 3953
REMARK MEMBER_SCORE : 55.453733
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 3996
REMARK FILE_NAME : seed-1-30-0-2-0.crd
Ignored bad PDB record found on line 3997
REMARK CLUSTER_NUM : 14
Ignored bad PDB record found on line 3998
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 3999
REMARK MEMBER_ENERGY : 48.115958
Ignored bad PDB record found on line 4000
REMARK MEMBER_SCORE : 48.115958
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4043
REMARK FILE_NAME : seed-1-36-0-2-0.crd
Ignored bad PDB record found on line 4044
REMARK CLUSTER_NUM : 14
Ignored bad PDB record found on line 4045
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 4046
REMARK MEMBER_ENERGY : 48.306129
Ignored bad PDB record found on line 4047
REMARK MEMBER_SCORE : 48.306129
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4090
REMARK FILE_NAME : seed-1-36-0-0-3.crd
Ignored bad PDB record found on line 4091
REMARK CLUSTER_NUM : 14
Ignored bad PDB record found on line 4092
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 4093
REMARK MEMBER_ENERGY : 49.138621
Ignored bad PDB record found on line 4094
REMARK MEMBER_SCORE : 49.138621
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4137
REMARK FILE_NAME : seed-1-31-1-0-2.crd
Ignored bad PDB record found on line 4138
REMARK CLUSTER_NUM : 15
Ignored bad PDB record found on line 4139
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 4140
REMARK MEMBER_ENERGY : 48.261785
Ignored bad PDB record found on line 4141
REMARK MEMBER_SCORE : 48.261785
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4184
REMARK FILE_NAME : seed-1-37-1-0-2.crd
Ignored bad PDB record found on line 4185
REMARK CLUSTER_NUM : 15
Ignored bad PDB record found on line 4186
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 4187
REMARK MEMBER_ENERGY : 48.991701
Ignored bad PDB record found on line 4188
REMARK MEMBER_SCORE : 48.991701
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4231
REMARK FILE_NAME : seed-1-30-0-3-1.crd
Ignored bad PDB record found on line 4232
REMARK CLUSTER_NUM : 15
Ignored bad PDB record found on line 4233
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 4234
REMARK MEMBER_ENERGY : 49.227773
Ignored bad PDB record found on line 4235
REMARK MEMBER_SCORE : 49.227773
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4278
REMARK FILE_NAME : seed-1-36-0-3-1.crd
Ignored bad PDB record found on line 4279
REMARK CLUSTER_NUM : 15
Ignored bad PDB record found on line 4280
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 4281
REMARK MEMBER_ENERGY : 49.268402
Ignored bad PDB record found on line 4282
REMARK MEMBER_SCORE : 49.268402
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4325
REMARK FILE_NAME : seed-1-31-1-0-1.crd
Ignored bad PDB record found on line 4326
REMARK CLUSTER_NUM : 15
Ignored bad PDB record found on line 4327
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 4328
REMARK MEMBER_ENERGY : 50.356473
Ignored bad PDB record found on line 4329
REMARK MEMBER_SCORE : 50.356473
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4372
REMARK FILE_NAME : seed-1-36-0-3-0.crd
Ignored bad PDB record found on line 4373
REMARK CLUSTER_NUM : 15
Ignored bad PDB record found on line 4374
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 4375
REMARK MEMBER_ENERGY : 57.416228
Ignored bad PDB record found on line 4376
REMARK MEMBER_SCORE : 57.416228
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4419
REMARK FILE_NAME : seed-1-9-0-2-3.crd
Ignored bad PDB record found on line 4420
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4421
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 4422
REMARK MEMBER_ENERGY : 48.324570
Ignored bad PDB record found on line 4423
REMARK MEMBER_SCORE : 48.324570
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4466
REMARK FILE_NAME : seed-1-6-1-2-0.crd
Ignored bad PDB record found on line 4467
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4468
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 4469
REMARK MEMBER_ENERGY : 49.707586
Ignored bad PDB record found on line 4470
REMARK MEMBER_SCORE : 49.707586
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4513
REMARK FILE_NAME : seed-1-5-0-2-2.crd
Ignored bad PDB record found on line 4514
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4515
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 4516
REMARK MEMBER_ENERGY : 50.156501
Ignored bad PDB record found on line 4517
REMARK MEMBER_SCORE : 50.156501
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4560
REMARK FILE_NAME : seed-1-28-1-2-2.crd
Ignored bad PDB record found on line 4561
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4562
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 4563
REMARK MEMBER_ENERGY : 51.027450
Ignored bad PDB record found on line 4564
REMARK MEMBER_SCORE : 51.027450
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4607
REMARK FILE_NAME : seed-1-26-0-2-3.crd
Ignored bad PDB record found on line 4608
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4609
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 4610
REMARK MEMBER_ENERGY : 51.325716
Ignored bad PDB record found on line 4611
REMARK MEMBER_SCORE : 51.325716
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4654
REMARK FILE_NAME : seed-1-11-0-1-3.crd
Ignored bad PDB record found on line 4655
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4656
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 4657
REMARK MEMBER_ENERGY : 53.902850
Ignored bad PDB record found on line 4658
REMARK MEMBER_SCORE : 53.902850
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4701
REMARK FILE_NAME : seed-1-21-0-1-3.crd
Ignored bad PDB record found on line 4702
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4703
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 4704
REMARK MEMBER_ENERGY : 53.909366
Ignored bad PDB record found on line 4705
REMARK MEMBER_SCORE : 53.909366
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4748
REMARK FILE_NAME : seed-1-9-0-2-2.crd
Ignored bad PDB record found on line 4749
REMARK CLUSTER_NUM : 16
Ignored bad PDB record found on line 4750
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 4751
REMARK MEMBER_ENERGY : 58.498415
Ignored bad PDB record found on line 4752
REMARK MEMBER_SCORE : 58.498415
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4795
REMARK FILE_NAME : seed-1-43-1-2-0.crd
Ignored bad PDB record found on line 4796
REMARK CLUSTER_NUM : 17
Ignored bad PDB record found on line 4797
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 4798
REMARK MEMBER_ENERGY : 48.542000
Ignored bad PDB record found on line 4799
REMARK MEMBER_SCORE : 48.542000
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4842
REMARK FILE_NAME : seed-1-43-0-0-2.crd
Ignored bad PDB record found on line 4843
REMARK CLUSTER_NUM : 17
Ignored bad PDB record found on line 4844
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 4845
REMARK MEMBER_ENERGY : 49.135011
Ignored bad PDB record found on line 4846
REMARK MEMBER_SCORE : 49.135011
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4889
REMARK FILE_NAME : seed-1-45-0-3-2.crd
Ignored bad PDB record found on line 4890
REMARK CLUSTER_NUM : 17
Ignored bad PDB record found on line 4891
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 4892
REMARK MEMBER_ENERGY : 49.196409
Ignored bad PDB record found on line 4893
REMARK MEMBER_SCORE : 49.196409
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4936
REMARK FILE_NAME : seed-1-45-0-0-2.crd
Ignored bad PDB record found on line 4937
REMARK CLUSTER_NUM : 17
Ignored bad PDB record found on line 4938
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 4939
REMARK MEMBER_ENERGY : 49.287075
Ignored bad PDB record found on line 4940
REMARK MEMBER_SCORE : 49.287075
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 4983
REMARK FILE_NAME : seed-1-44-0-0-2.crd
Ignored bad PDB record found on line 4984
REMARK CLUSTER_NUM : 17
Ignored bad PDB record found on line 4985
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 4986
REMARK MEMBER_ENERGY : 49.425132
Ignored bad PDB record found on line 4987
REMARK MEMBER_SCORE : 49.425132
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5030
REMARK FILE_NAME : seed-1-44-0-3-2.crd
Ignored bad PDB record found on line 5031
REMARK CLUSTER_NUM : 17
Ignored bad PDB record found on line 5032
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 5033
REMARK MEMBER_ENERGY : 49.575158
Ignored bad PDB record found on line 5034
REMARK MEMBER_SCORE : 49.575158
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5077
REMARK FILE_NAME : seed-1-45-1-2-0.crd
Ignored bad PDB record found on line 5078
REMARK CLUSTER_NUM : 17
Ignored bad PDB record found on line 5079
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 5080
REMARK MEMBER_ENERGY : 50.050273
Ignored bad PDB record found on line 5081
REMARK MEMBER_SCORE : 50.050273
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5124
REMARK FILE_NAME : seed-1-41-0-3-3.crd
Ignored bad PDB record found on line 5125
REMARK CLUSTER_NUM : 18
Ignored bad PDB record found on line 5126
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5127
REMARK MEMBER_ENERGY : 48.546739
Ignored bad PDB record found on line 5128
REMARK MEMBER_SCORE : 48.546739
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5171
REMARK FILE_NAME : seed-1-41-0-3-2.crd
Ignored bad PDB record found on line 5172
REMARK CLUSTER_NUM : 18
Ignored bad PDB record found on line 5173
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 5174
REMARK MEMBER_ENERGY : 48.979170
Ignored bad PDB record found on line 5175
REMARK MEMBER_SCORE : 48.979170
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5218
REMARK FILE_NAME : seed-1-11-0-1-2.crd
Ignored bad PDB record found on line 5219
REMARK CLUSTER_NUM : 19
Ignored bad PDB record found on line 5220
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5221
REMARK MEMBER_ENERGY : 48.601186
Ignored bad PDB record found on line 5222
REMARK MEMBER_SCORE : 48.601186
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5265
REMARK FILE_NAME : seed-1-6-0-1-1.crd
Ignored bad PDB record found on line 5266
REMARK CLUSTER_NUM : 19
Ignored bad PDB record found on line 5267
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 5268
REMARK MEMBER_ENERGY : 61.742163
Ignored bad PDB record found on line 5269
REMARK MEMBER_SCORE : 61.742163
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5312
REMARK FILE_NAME : seed-1-24-1-2-0.crd
Ignored bad PDB record found on line 5313
REMARK CLUSTER_NUM : 19
Ignored bad PDB record found on line 5314
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 5315
REMARK MEMBER_ENERGY : 67.341773
Ignored bad PDB record found on line 5316
REMARK MEMBER_SCORE : 67.341773
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5359
REMARK FILE_NAME : seed-1-31-0-1-3.crd
Ignored bad PDB record found on line 5360
REMARK CLUSTER_NUM : 20
Ignored bad PDB record found on line 5361
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5362
REMARK MEMBER_ENERGY : 48.609774
Ignored bad PDB record found on line 5363
REMARK MEMBER_SCORE : 48.609774
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5406
REMARK FILE_NAME : seed-1-36-0-1-3.crd
Ignored bad PDB record found on line 5407
REMARK CLUSTER_NUM : 20
Ignored bad PDB record found on line 5408
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 5409
REMARK MEMBER_ENERGY : 48.655952
Ignored bad PDB record found on line 5410
REMARK MEMBER_SCORE : 48.655952
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5453
REMARK FILE_NAME : seed-1-37-0-1-3.crd
Ignored bad PDB record found on line 5454
REMARK CLUSTER_NUM : 20
Ignored bad PDB record found on line 5455
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 5456
REMARK MEMBER_ENERGY : 49.759281
Ignored bad PDB record found on line 5457
REMARK MEMBER_SCORE : 49.759281
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5500
REMARK FILE_NAME : seed-1-37-1-0-3.crd
Ignored bad PDB record found on line 5501
REMARK CLUSTER_NUM : 21
Ignored bad PDB record found on line 5502
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5503
REMARK MEMBER_ENERGY : 49.189879
Ignored bad PDB record found on line 5504
REMARK MEMBER_SCORE : 49.189879
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5547
REMARK FILE_NAME : seed-1-30-1-0-3.crd
Ignored bad PDB record found on line 5548
REMARK CLUSTER_NUM : 21
Ignored bad PDB record found on line 5549
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 5550
REMARK MEMBER_ENERGY : 49.376894
Ignored bad PDB record found on line 5551
REMARK MEMBER_SCORE : 49.376894
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5594
REMARK FILE_NAME : seed-1-36-0-0-0.crd
Ignored bad PDB record found on line 5595
REMARK CLUSTER_NUM : 21
Ignored bad PDB record found on line 5596
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 5597
REMARK MEMBER_ENERGY : 50.843295
Ignored bad PDB record found on line 5598
REMARK MEMBER_SCORE : 50.843295
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5641
REMARK FILE_NAME : seed-1-31-0-0-3.crd
Ignored bad PDB record found on line 5642
REMARK CLUSTER_NUM : 21
Ignored bad PDB record found on line 5643
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 5644
REMARK MEMBER_ENERGY : 52.033469
Ignored bad PDB record found on line 5645
REMARK MEMBER_SCORE : 52.033469
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5688
REMARK FILE_NAME : seed-1-37-1-0-0.crd
Ignored bad PDB record found on line 5689
REMARK CLUSTER_NUM : 21
Ignored bad PDB record found on line 5690
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 5691
REMARK MEMBER_ENERGY : 58.878064
Ignored bad PDB record found on line 5692
REMARK MEMBER_SCORE : 58.878064
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5735
REMARK FILE_NAME : seed-1-36-0-1-2.crd
Ignored bad PDB record found on line 5736
REMARK CLUSTER_NUM : 22
Ignored bad PDB record found on line 5737
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5738
REMARK MEMBER_ENERGY : 49.198334
Ignored bad PDB record found on line 5739
REMARK MEMBER_SCORE : 49.198334
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5782
REMARK FILE_NAME : seed-1-31-0-2-2.crd
Ignored bad PDB record found on line 5783
REMARK CLUSTER_NUM : 22
Ignored bad PDB record found on line 5784
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 5785
REMARK MEMBER_ENERGY : 50.561709
Ignored bad PDB record found on line 5786
REMARK MEMBER_SCORE : 50.561709
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5829
REMARK FILE_NAME : seed-1-31-0-1-2.crd
Ignored bad PDB record found on line 5830
REMARK CLUSTER_NUM : 22
Ignored bad PDB record found on line 5831
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 5832
REMARK MEMBER_ENERGY : 51.569712
Ignored bad PDB record found on line 5833
REMARK MEMBER_SCORE : 51.569712
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5876
REMARK FILE_NAME : seed-1-30-0-1-3.crd
Ignored bad PDB record found on line 5877
REMARK CLUSTER_NUM : 22
Ignored bad PDB record found on line 5878
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 5879
REMARK MEMBER_ENERGY : 52.296595
Ignored bad PDB record found on line 5880
REMARK MEMBER_SCORE : 52.296595
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5923
REMARK FILE_NAME : seed-1-41-1-2-1.crd
Ignored bad PDB record found on line 5924
REMARK CLUSTER_NUM : 23
Ignored bad PDB record found on line 5925
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5926
REMARK MEMBER_ENERGY : 49.204044
Ignored bad PDB record found on line 5927
REMARK MEMBER_SCORE : 49.204044
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 5970
REMARK FILE_NAME : seed-1-35-0-3-3.crd
Ignored bad PDB record found on line 5971
REMARK CLUSTER_NUM : 24
Ignored bad PDB record found on line 5972
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 5973
REMARK MEMBER_ENERGY : 49.320024
Ignored bad PDB record found on line 5974
REMARK MEMBER_SCORE : 49.320024
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6017
REMARK FILE_NAME : seed-1-14-0-3-3.crd
Ignored bad PDB record found on line 6018
REMARK CLUSTER_NUM : 24
Ignored bad PDB record found on line 6019
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 6020
REMARK MEMBER_ENERGY : 50.116022
Ignored bad PDB record found on line 6021
REMARK MEMBER_SCORE : 50.116022
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6064
REMARK FILE_NAME : seed-1-19-0-0-0.crd
Ignored bad PDB record found on line 6065
REMARK CLUSTER_NUM : 24
Ignored bad PDB record found on line 6066
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 6067
REMARK MEMBER_ENERGY : 50.151050
Ignored bad PDB record found on line 6068
REMARK MEMBER_SCORE : 50.151050
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6111
REMARK FILE_NAME : seed-1-28-0-3-3.crd
Ignored bad PDB record found on line 6112
REMARK CLUSTER_NUM : 24
Ignored bad PDB record found on line 6113
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 6114
REMARK MEMBER_ENERGY : 50.604450
Ignored bad PDB record found on line 6115
REMARK MEMBER_SCORE : 50.604450
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6158
REMARK FILE_NAME : seed-1-2-1-0-0.crd
Ignored bad PDB record found on line 6159
REMARK CLUSTER_NUM : 24
Ignored bad PDB record found on line 6160
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 6161
REMARK MEMBER_ENERGY : 50.666272
Ignored bad PDB record found on line 6162
REMARK MEMBER_SCORE : 50.666272
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6205
REMARK FILE_NAME : seed-1-2-0-3-3.crd
Ignored bad PDB record found on line 6206
REMARK CLUSTER_NUM : 24
Ignored bad PDB record found on line 6207
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 6208
REMARK MEMBER_ENERGY : 57.180739
Ignored bad PDB record found on line 6209
REMARK MEMBER_SCORE : 57.180739
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6252
REMARK FILE_NAME : seed-1-13-1-0-0.crd
Ignored bad PDB record found on line 6253
REMARK CLUSTER_NUM : 24
Ignored bad PDB record found on line 6254
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 6255
REMARK MEMBER_ENERGY : 58.617185
Ignored bad PDB record found on line 6256
REMARK MEMBER_SCORE : 58.617185
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6299
REMARK FILE_NAME : seed-1-24-0-3-3.crd
Ignored bad PDB record found on line 6300
REMARK CLUSTER_NUM : 24
Ignored bad PDB record found on line 6301
REMARK CLUSTER_MEMBER : 8
Ignored bad PDB record found on line 6302
REMARK MEMBER_ENERGY : 59.929725
Ignored bad PDB record found on line 6303
REMARK MEMBER_SCORE : 59.929725
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6346
REMARK FILE_NAME : seed-1-37-0-3-2.crd
Ignored bad PDB record found on line 6347
REMARK CLUSTER_NUM : 25
Ignored bad PDB record found on line 6348
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 6349
REMARK MEMBER_ENERGY : 49.320182
Ignored bad PDB record found on line 6350
REMARK MEMBER_SCORE : 49.320182
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6393
REMARK FILE_NAME : seed-1-30-1-2-0.crd
Ignored bad PDB record found on line 6394
REMARK CLUSTER_NUM : 25
Ignored bad PDB record found on line 6395
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 6396
REMARK MEMBER_ENERGY : 51.180965
Ignored bad PDB record found on line 6397
REMARK MEMBER_SCORE : 51.180965
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6440
REMARK FILE_NAME : seed-1-36-0-2-3.crd
Ignored bad PDB record found on line 6441
REMARK CLUSTER_NUM : 25
Ignored bad PDB record found on line 6442
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 6443
REMARK MEMBER_ENERGY : 51.366220
Ignored bad PDB record found on line 6444
REMARK MEMBER_SCORE : 51.366220
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6487
REMARK FILE_NAME : seed-1-31-0-2-3.crd
Ignored bad PDB record found on line 6488
REMARK CLUSTER_NUM : 25
Ignored bad PDB record found on line 6489
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 6490
REMARK MEMBER_ENERGY : 51.515761
Ignored bad PDB record found on line 6491
REMARK MEMBER_SCORE : 51.515761
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6534
REMARK FILE_NAME : seed-1-31-0-3-2.crd
Ignored bad PDB record found on line 6535
REMARK CLUSTER_NUM : 25
Ignored bad PDB record found on line 6536
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 6537
REMARK MEMBER_ENERGY : 51.655263
Ignored bad PDB record found on line 6538
REMARK MEMBER_SCORE : 51.655263
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6581
REMARK FILE_NAME : seed-1-30-0-2-3.crd
Ignored bad PDB record found on line 6582
REMARK CLUSTER_NUM : 25
Ignored bad PDB record found on line 6583
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 6584
REMARK MEMBER_ENERGY : 51.664013
Ignored bad PDB record found on line 6585
REMARK MEMBER_SCORE : 51.664013
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6628
REMARK FILE_NAME : seed-1-30-0-3-2.crd
Ignored bad PDB record found on line 6629
REMARK CLUSTER_NUM : 25
Ignored bad PDB record found on line 6630
REMARK CLUSTER_MEMBER : 7
Ignored bad PDB record found on line 6631
REMARK MEMBER_ENERGY : 52.203791
Ignored bad PDB record found on line 6632
REMARK MEMBER_SCORE : 52.203791
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6675
REMARK FILE_NAME : seed-1-30-0-2-2.crd
Ignored bad PDB record found on line 6676
REMARK CLUSTER_NUM : 26
Ignored bad PDB record found on line 6677
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 6678
REMARK MEMBER_ENERGY : 49.455546
Ignored bad PDB record found on line 6679
REMARK MEMBER_SCORE : 49.455546
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6722
REMARK FILE_NAME : seed-1-37-0-2-2.crd
Ignored bad PDB record found on line 6723
REMARK CLUSTER_NUM : 26
Ignored bad PDB record found on line 6724
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 6725
REMARK MEMBER_ENERGY : 49.491304
Ignored bad PDB record found on line 6726
REMARK MEMBER_SCORE : 49.491304
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6769
REMARK FILE_NAME : seed-1-30-1-2-1.crd
Ignored bad PDB record found on line 6770
REMARK CLUSTER_NUM : 27
Ignored bad PDB record found on line 6771
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 6772
REMARK MEMBER_ENERGY : 49.542306
Ignored bad PDB record found on line 6773
REMARK MEMBER_SCORE : 49.542306
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6816
REMARK FILE_NAME : seed-1-31-1-2-1.crd
Ignored bad PDB record found on line 6817
REMARK CLUSTER_NUM : 27
Ignored bad PDB record found on line 6818
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 6819
REMARK MEMBER_ENERGY : 51.186942
Ignored bad PDB record found on line 6820
REMARK MEMBER_SCORE : 51.186942
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6863
REMARK FILE_NAME : seed-1-30-0-0-3.crd
Ignored bad PDB record found on line 6864
REMARK CLUSTER_NUM : 27
Ignored bad PDB record found on line 6865
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 6866
REMARK MEMBER_ENERGY : 54.517102
Ignored bad PDB record found on line 6867
REMARK MEMBER_SCORE : 54.517102
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6910
REMARK FILE_NAME : seed-1-36-0-1-0.crd
Ignored bad PDB record found on line 6911
REMARK CLUSTER_NUM : 28
Ignored bad PDB record found on line 6912
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 6913
REMARK MEMBER_ENERGY : 49.586505
Ignored bad PDB record found on line 6914
REMARK MEMBER_SCORE : 49.586505
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 6957
REMARK FILE_NAME : seed-1-31-0-0-0.crd
Ignored bad PDB record found on line 6958
REMARK CLUSTER_NUM : 28
Ignored bad PDB record found on line 6959
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 6960
REMARK MEMBER_ENERGY : 50.276781
Ignored bad PDB record found on line 6961
REMARK MEMBER_SCORE : 50.276781
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7004
REMARK FILE_NAME : seed-1-30-0-1-0.crd
Ignored bad PDB record found on line 7005
REMARK CLUSTER_NUM : 28
Ignored bad PDB record found on line 7006
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 7007
REMARK MEMBER_ENERGY : 50.893653
Ignored bad PDB record found on line 7008
REMARK MEMBER_SCORE : 50.893653
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7051
REMARK FILE_NAME : seed-1-37-0-0-0.crd
Ignored bad PDB record found on line 7052
REMARK CLUSTER_NUM : 28
Ignored bad PDB record found on line 7053
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 7054
REMARK MEMBER_ENERGY : 59.363246
Ignored bad PDB record found on line 7055
REMARK MEMBER_SCORE : 59.363246
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7098
REMARK FILE_NAME : seed-1-6-0-2-1.crd
Ignored bad PDB record found on line 7099
REMARK CLUSTER_NUM : 29
Ignored bad PDB record found on line 7100
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7101
REMARK MEMBER_ENERGY : 49.591017
Ignored bad PDB record found on line 7102
REMARK MEMBER_SCORE : 49.591017
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7145
REMARK FILE_NAME : seed-1-10-0-2-0.crd
Ignored bad PDB record found on line 7146
REMARK CLUSTER_NUM : 29
Ignored bad PDB record found on line 7147
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7148
REMARK MEMBER_ENERGY : 50.518864
Ignored bad PDB record found on line 7149
REMARK MEMBER_SCORE : 50.518864
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7192
REMARK FILE_NAME : seed-1-3-0-2-0.crd
Ignored bad PDB record found on line 7193
REMARK CLUSTER_NUM : 29
Ignored bad PDB record found on line 7194
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 7195
REMARK MEMBER_ENERGY : 55.671722
Ignored bad PDB record found on line 7196
REMARK MEMBER_SCORE : 55.671722
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7239
REMARK FILE_NAME : seed-1-22-0-3-1.crd
Ignored bad PDB record found on line 7240
REMARK CLUSTER_NUM : 29
Ignored bad PDB record found on line 7241
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 7242
REMARK MEMBER_ENERGY : 60.795491
Ignored bad PDB record found on line 7243
REMARK MEMBER_SCORE : 60.795491
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7286
REMARK FILE_NAME : seed-1-22-0-2-0.crd
Ignored bad PDB record found on line 7287
REMARK CLUSTER_NUM : 29
Ignored bad PDB record found on line 7288
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 7289
REMARK MEMBER_ENERGY : 60.984904
Ignored bad PDB record found on line 7290
REMARK MEMBER_SCORE : 60.984904
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7333
REMARK FILE_NAME : seed-1-22-1-0-2.crd
Ignored bad PDB record found on line 7334
REMARK CLUSTER_NUM : 29
Ignored bad PDB record found on line 7335
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 7336
REMARK MEMBER_ENERGY : 66.470227
Ignored bad PDB record found on line 7337
REMARK MEMBER_SCORE : 66.470227
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7380
REMARK FILE_NAME : seed-1-41-0-2-1.crd
Ignored bad PDB record found on line 7381
REMARK CLUSTER_NUM : 30
Ignored bad PDB record found on line 7382
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7383
REMARK MEMBER_ENERGY : 49.598422
Ignored bad PDB record found on line 7384
REMARK MEMBER_SCORE : 49.598422
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7427
REMARK FILE_NAME : seed-1-45-0-0-3.crd
Ignored bad PDB record found on line 7428
REMARK CLUSTER_NUM : 31
Ignored bad PDB record found on line 7429
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7430
REMARK MEMBER_ENERGY : 49.721427
Ignored bad PDB record found on line 7431
REMARK MEMBER_SCORE : 49.721427
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7474
REMARK FILE_NAME : seed-1-44-1-0-3.crd
Ignored bad PDB record found on line 7475
REMARK CLUSTER_NUM : 31
Ignored bad PDB record found on line 7476
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7477
REMARK MEMBER_ENERGY : 50.452390
Ignored bad PDB record found on line 7478
REMARK MEMBER_SCORE : 50.452390
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7521
REMARK FILE_NAME : seed-1-43-0-0-3.crd
Ignored bad PDB record found on line 7522
REMARK CLUSTER_NUM : 31
Ignored bad PDB record found on line 7523
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 7524
REMARK MEMBER_ENERGY : 54.831379
Ignored bad PDB record found on line 7525
REMARK MEMBER_SCORE : 54.831379
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7568
REMARK FILE_NAME : seed-1-31-0-1-0.crd
Ignored bad PDB record found on line 7569
REMARK CLUSTER_NUM : 32
Ignored bad PDB record found on line 7570
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7571
REMARK MEMBER_ENERGY : 49.750957
Ignored bad PDB record found on line 7572
REMARK MEMBER_SCORE : 49.750957
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7615
REMARK FILE_NAME : seed-1-31-0-1-1.crd
Ignored bad PDB record found on line 7616
REMARK CLUSTER_NUM : 32
Ignored bad PDB record found on line 7617
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7618
REMARK MEMBER_ENERGY : 53.489290
Ignored bad PDB record found on line 7619
REMARK MEMBER_SCORE : 53.489290
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7662
REMARK FILE_NAME : seed-1-36-0-1-1.crd
Ignored bad PDB record found on line 7663
REMARK CLUSTER_NUM : 32
Ignored bad PDB record found on line 7664
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 7665
REMARK MEMBER_ENERGY : 53.779383
Ignored bad PDB record found on line 7666
REMARK MEMBER_SCORE : 53.779383
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7709
REMARK FILE_NAME : seed-1-30-0-1-1.crd
Ignored bad PDB record found on line 7710
REMARK CLUSTER_NUM : 32
Ignored bad PDB record found on line 7711
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 7712
REMARK MEMBER_ENERGY : 53.824075
Ignored bad PDB record found on line 7713
REMARK MEMBER_SCORE : 53.824075
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7756
REMARK FILE_NAME : seed-1-41-1-0-0.crd
Ignored bad PDB record found on line 7757
REMARK CLUSTER_NUM : 33
Ignored bad PDB record found on line 7758
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7759
REMARK MEMBER_ENERGY : 50.061082
Ignored bad PDB record found on line 7760
REMARK MEMBER_SCORE : 50.061082
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7803
REMARK FILE_NAME : seed-1-41-0-0-0.crd
Ignored bad PDB record found on line 7804
REMARK CLUSTER_NUM : 33
Ignored bad PDB record found on line 7805
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7806
REMARK MEMBER_ENERGY : 51.268390
Ignored bad PDB record found on line 7807
REMARK MEMBER_SCORE : 51.268390
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7850
REMARK FILE_NAME : seed-1-40-0-1-1.crd
Ignored bad PDB record found on line 7851
REMARK CLUSTER_NUM : 34
Ignored bad PDB record found on line 7852
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7853
REMARK MEMBER_ENERGY : 50.215975
Ignored bad PDB record found on line 7854
REMARK MEMBER_SCORE : 50.215975
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7897
REMARK FILE_NAME : seed-1-38-0-1-2.crd
Ignored bad PDB record found on line 7898
REMARK CLUSTER_NUM : 34
Ignored bad PDB record found on line 7899
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7900
REMARK MEMBER_ENERGY : 52.795970
Ignored bad PDB record found on line 7901
REMARK MEMBER_SCORE : 52.795970
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
Ignored bad PDB record found on line 7944
REMARK FILE_NAME : seed-1-41-0-0-3.crd
Ignored bad PDB record found on line 7945
REMARK CLUSTER_NUM : 35
Ignored bad PDB record found on line 7946
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 7947
REMARK MEMBER_ENERGY : 50.343111
Ignored bad PDB record found on line 7948
REMARK MEMBER_SCORE : 50.343111
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
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REMARK FILE_NAME : seed-1-41-0-1-2.crd
Ignored bad PDB record found on line 7992
REMARK CLUSTER_NUM : 35
Ignored bad PDB record found on line 7993
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 7994
REMARK MEMBER_ENERGY : 53.999227
Ignored bad PDB record found on line 7995
REMARK MEMBER_SCORE : 53.999227
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
Duplicate atom serial number found: 4898
30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-43-1-0-2.crd
Ignored bad PDB record found on line 8039
REMARK CLUSTER_NUM : 36
Ignored bad PDB record found on line 8040
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8041
REMARK MEMBER_ENERGY : 50.550637
Ignored bad PDB record found on line 8042
REMARK MEMBER_SCORE : 50.550637
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-45-0-2-0.crd
Ignored bad PDB record found on line 8086
REMARK CLUSTER_NUM : 36
Ignored bad PDB record found on line 8087
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 8088
REMARK MEMBER_ENERGY : 51.993802
Ignored bad PDB record found on line 8089
REMARK MEMBER_SCORE : 51.993802
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-43-0-3-1.crd
Ignored bad PDB record found on line 8133
REMARK CLUSTER_NUM : 36
Ignored bad PDB record found on line 8134
REMARK CLUSTER_MEMBER : 3
Ignored bad PDB record found on line 8135
REMARK MEMBER_ENERGY : 52.123155
Ignored bad PDB record found on line 8136
REMARK MEMBER_SCORE : 52.123155
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
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30 messages similar to the above omitted
Ignored bad PDB record found on line 8179
REMARK FILE_NAME : seed-1-44-1-0-2.crd
Ignored bad PDB record found on line 8180
REMARK CLUSTER_NUM : 36
Ignored bad PDB record found on line 8181
REMARK CLUSTER_MEMBER : 4
Ignored bad PDB record found on line 8182
REMARK MEMBER_ENERGY : 52.836548
Ignored bad PDB record found on line 8183
REMARK MEMBER_SCORE : 52.836548
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-44-0-2-0.crd
Ignored bad PDB record found on line 8227
REMARK CLUSTER_NUM : 36
Ignored bad PDB record found on line 8228
REMARK CLUSTER_MEMBER : 5
Ignored bad PDB record found on line 8229
REMARK MEMBER_ENERGY : 53.238445
Ignored bad PDB record found on line 8230
REMARK MEMBER_SCORE : 53.238445
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
Duplicate atom serial number found: 4897
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-43-0-2-0.crd
Ignored bad PDB record found on line 8274
REMARK CLUSTER_NUM : 36
Ignored bad PDB record found on line 8275
REMARK CLUSTER_MEMBER : 6
Ignored bad PDB record found on line 8276
REMARK MEMBER_ENERGY : 53.973216
Ignored bad PDB record found on line 8277
REMARK MEMBER_SCORE : 53.973216
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-44-1-2-0.crd
Ignored bad PDB record found on line 8321
REMARK CLUSTER_NUM : 37
Ignored bad PDB record found on line 8322
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8323
REMARK MEMBER_ENERGY : 50.564176
Ignored bad PDB record found on line 8324
REMARK MEMBER_SCORE : 50.564176
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
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30 messages similar to the above omitted
Ignored bad PDB record found on line 8367
REMARK FILE_NAME : seed-1-51-0-3-0.crd
Ignored bad PDB record found on line 8368
REMARK CLUSTER_NUM : 38
Ignored bad PDB record found on line 8369
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8370
REMARK MEMBER_ENERGY : 50.657596
Ignored bad PDB record found on line 8371
REMARK MEMBER_SCORE : 50.657596
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-43-0-3-3.crd
Ignored bad PDB record found on line 8415
REMARK CLUSTER_NUM : 39
Ignored bad PDB record found on line 8416
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8417
REMARK MEMBER_ENERGY : 50.674640
Ignored bad PDB record found on line 8418
REMARK MEMBER_SCORE : 50.674640
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-44-0-3-0.crd
Ignored bad PDB record found on line 8462
REMARK CLUSTER_NUM : 39
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REMARK CLUSTER_MEMBER : 2
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REMARK MEMBER_ENERGY : 50.976236
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REMARK MEMBER_SCORE : 50.976236
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-44-0-3-3.crd
Ignored bad PDB record found on line 8509
REMARK CLUSTER_NUM : 39
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REMARK CLUSTER_MEMBER : 3
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REMARK MEMBER_ENERGY : 52.381972
Ignored bad PDB record found on line 8512
REMARK MEMBER_SCORE : 52.381972
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-30-0-3-3.crd
Ignored bad PDB record found on line 8556
REMARK CLUSTER_NUM : 40
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REMARK CLUSTER_MEMBER : 1
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REMARK MEMBER_ENERGY : 50.908540
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REMARK MEMBER_SCORE : 50.908540
6 messages similar to the above omitted
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-36-1-0-3.crd
Ignored bad PDB record found on line 8603
REMARK CLUSTER_NUM : 40
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REMARK CLUSTER_MEMBER : 2
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REMARK MEMBER_ENERGY : 51.085874
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REMARK MEMBER_SCORE : 51.085874
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
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REMARK FILE_NAME : seed-1-37-0-0-3.crd
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REMARK CLUSTER_NUM : 40
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REMARK CLUSTER_MEMBER : 3
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REMARK MEMBER_ENERGY : 51.532877
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REMARK MEMBER_SCORE : 51.532877
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REMARK FILE_NAME : seed-1-31-1-0-3.crd
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REMARK CLUSTER_NUM : 40
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REMARK CLUSTER_MEMBER : 4
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REMARK MEMBER_ENERGY : 52.689352
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REMARK MEMBER_SCORE : 52.689352
6 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-42-1-2-2.crd
Ignored bad PDB record found on line 8744
REMARK CLUSTER_NUM : 41
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REMARK CLUSTER_MEMBER : 1
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REMARK MEMBER_ENERGY : 50.962425
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REMARK MEMBER_SCORE : 50.962425
6 messages similar to the above omitted
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-45-0-1-3.crd
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REMARK CLUSTER_NUM : 42
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REMARK CLUSTER_MEMBER : 1
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REMARK MEMBER_ENERGY : 50.985099
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REMARK MEMBER_SCORE : 50.985099
6 messages similar to the above omitted
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-44-0-1-3.crd
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REMARK CLUSTER_NUM : 42
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REMARK CLUSTER_MEMBER : 2
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REMARK MEMBER_ENERGY : 54.262245
Ignored bad PDB record found on line 8841
REMARK MEMBER_SCORE : 54.262245
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
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30 messages similar to the above omitted
Ignored bad PDB record found on line 8884
REMARK FILE_NAME : seed-1-43-0-1-3.crd
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REMARK CLUSTER_NUM : 43
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REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8887
REMARK MEMBER_ENERGY : 51.076234
Ignored bad PDB record found on line 8888
REMARK MEMBER_SCORE : 51.076234
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-44-0-2-3.crd
Ignored bad PDB record found on line 8932
REMARK CLUSTER_NUM : 43
Ignored bad PDB record found on line 8933
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 8934
REMARK MEMBER_ENERGY : 53.332311
Ignored bad PDB record found on line 8935
REMARK MEMBER_SCORE : 53.332311
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-41-1-0-1.crd
Ignored bad PDB record found on line 8979
REMARK CLUSTER_NUM : 44
Ignored bad PDB record found on line 8980
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 8981
REMARK MEMBER_ENERGY : 51.319827
Ignored bad PDB record found on line 8982
REMARK MEMBER_SCORE : 51.319827
6 messages similar to the above omitted
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-41-0-0-1.crd
Ignored bad PDB record found on line 9026
REMARK CLUSTER_NUM : 45
Ignored bad PDB record found on line 9027
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 9028
REMARK MEMBER_ENERGY : 51.376033
Ignored bad PDB record found on line 9029
REMARK MEMBER_SCORE : 51.376033
6 messages similar to the above omitted
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-41-0-1-0.crd
Ignored bad PDB record found on line 9073
REMARK CLUSTER_NUM : 46
Ignored bad PDB record found on line 9074
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 9075
REMARK MEMBER_ENERGY : 51.477575
Ignored bad PDB record found on line 9076
REMARK MEMBER_SCORE : 51.477575
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
Duplicate atom serial number found: 4895
Duplicate atom serial number found: 4896
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30 messages similar to the above omitted
Ignored bad PDB record found on line 9119
REMARK FILE_NAME : seed-1-41-0-1-3.crd
Ignored bad PDB record found on line 9120
REMARK CLUSTER_NUM : 46
Ignored bad PDB record found on line 9121
REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 9122
REMARK MEMBER_ENERGY : 51.636209
Ignored bad PDB record found on line 9123
REMARK MEMBER_SCORE : 51.636209
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
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30 messages similar to the above omitted
Ignored bad PDB record found on line 9166
REMARK FILE_NAME : seed-1-44-0-3-1.crd
Ignored bad PDB record found on line 9167
REMARK CLUSTER_NUM : 47
Ignored bad PDB record found on line 9168
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 9169
REMARK MEMBER_ENERGY : 51.494717
Ignored bad PDB record found on line 9170
REMARK MEMBER_SCORE : 51.494717
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-45-1-0-1.crd
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REMARK CLUSTER_NUM : 47
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REMARK CLUSTER_MEMBER : 2
Ignored bad PDB record found on line 9216
REMARK MEMBER_ENERGY : 55.434578
Ignored bad PDB record found on line 9217
REMARK MEMBER_SCORE : 55.434578
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-51-1-2-0.crd
Ignored bad PDB record found on line 9261
REMARK CLUSTER_NUM : 48
Ignored bad PDB record found on line 9262
REMARK CLUSTER_MEMBER : 1
Ignored bad PDB record found on line 9263
REMARK MEMBER_ENERGY : 51.509672
Ignored bad PDB record found on line 9264
REMARK MEMBER_SCORE : 51.509672
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-51-1-2-1.crd
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REMARK CLUSTER_NUM : 48
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REMARK CLUSTER_MEMBER : 2
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REMARK MEMBER_ENERGY : 52.079956
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REMARK MEMBER_SCORE : 52.079956
6 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-51-0-0-2.crd
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REMARK CLUSTER_NUM : 48
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REMARK CLUSTER_MEMBER : 3
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REMARK MEMBER_ENERGY : 53.532413
Ignored bad PDB record found on line 9358
REMARK MEMBER_SCORE : 53.532413
6 messages similar to the above omitted
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-8-0-1-0.crd
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REMARK CLUSTER_NUM : 49
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REMARK CLUSTER_MEMBER : 1
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REMARK MEMBER_ENERGY : 51.626004
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REMARK MEMBER_SCORE : 51.626004
6 messages similar to the above omitted
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-2-0-1-1.crd
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REMARK CLUSTER_NUM : 49
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REMARK CLUSTER_MEMBER : 2
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REMARK MEMBER_ENERGY : 54.306266
Ignored bad PDB record found on line 9452
REMARK MEMBER_SCORE : 54.306266
6 messages similar to the above omitted
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30 messages similar to the above omitted
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REMARK FILE_NAME : seed-1-18-0-1-1.crd
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REMARK CLUSTER_NUM : 49
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REMARK CLUSTER_MEMBER : 3
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REMARK MEMBER_ENERGY : 56.755615
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REMARK MEMBER_SCORE : 56.755615
6 messages similar to the above omitted
Duplicate atom serial number found: 4894
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Duplicate atom serial number found: 4898
30 messages similar to the above omitted
> open /Users/charlottexia/Desktop/ligand3_C8methyl/files/receptor.pdb
Summary of feedback from opening
/Users/charlottexia/Desktop/ligand3_C8methyl/files/receptor.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK NONE *
Ignored bad PDB record found on line 2
REMARK DATE: 3/10/26 3:35:36 CREATED BY USER: swissdock
Chain information for receptor.pdb #2
---
Chain | Description
? | No description available
Computing secondary structure
> ui tool show ViewDock
> open /Users/charlottexia/Desktop/ligand3_C8methyl/result.dock4.pdb format
> swissdock
> hbonds #3.1-203 restrict #1#!2 & (main|ligand) reveal true
132 hydrogen bonds found
===== Log before crash end =====
Log:
UCSF ChimeraX version: 1.11.1 (2026-01-23)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
OpenGL version: 4.1 Metal - 90.5
OpenGL renderer: Apple M1
OpenGL vendor: Apple
Python: 3.11.9
Locale: en_US.UTF-8
Qt version: PyQt6 6.9.1, Qt 6.9.0
Qt runtime version: 6.9.2
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: MacBook Pro
Model Identifier: MacBookPro17,1
Model Number: MYDC2B/A
Chip: Apple M1
Total Number of Cores: 8 (4 performance and 4 efficiency)
Memory: 8 GB
System Firmware Version: 13822.1.2
OS Loader Version: 13822.1.2
Software:
System Software Overview:
System Version: macOS 26.0.1 (25A362)
Kernel Version: Darwin 25.0.0
Time since boot: 4 days, 9 hours, 32 minutes
Graphics/Displays:
Apple M1:
Chipset Model: Apple M1
Type: GPU
Bus: Built-In
Total Number of Cores: 8
Vendor: Apple (0x106b)
Metal Support: Metal 4
Displays:
Color LCD:
Display Type: Built-In Retina LCD
Resolution: 2560 x 1600 Retina
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: Yes
Connection Type: Internal
Installed Packages:
aiohappyeyeballs: 2.6.1
aiohttp: 3.13.1
aiosignal: 1.4.0
alabaster: 1.0.0
annotated-types: 0.7.0
anyio: 4.12.1
appdirs: 1.4.4
appnope: 0.1.4
asttokens: 3.0.1
attrs: 25.4.0
babel: 2.17.0
beautifulsoup4: 4.13.5
blockdiag: 3.0.0
blosc2: 3.12.2
build: 1.3.0
certifi: 2025.7.14
cftime: 1.6.5
charset-normalizer: 3.4.4
ChimeraX-AddCharge: 1.5.20
ChimeraX-AddH: 2.2.8
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 3.1.1
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Animations: 1.0
ChimeraX-Aniso: 1.3.2
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.61.4
ChimeraX-AtomicLibrary: 14.2.1
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.3
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-Boltz: 1.1
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.2
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.6.0
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.5
ChimeraX-ChemGroup: 2.0.2
ChimeraX-Clashes: 2.3
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.8
ChimeraX-CommandLine: 1.3.0
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.11.1
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.5
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.4
ChimeraX-Dicom: 1.2.7
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.1.4
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.4.1
ChimeraX-Hbonds: 2.5.3
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.4
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.7.3
ChimeraX-Label: 1.2
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.2.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.2
ChimeraX-Map: 1.3
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchMaker: 2.2.2
ChimeraX-MCopy: 1.0
ChimeraX-MCPServer: 0.1.0
ChimeraX-MDcrds: 2.17.2
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-Minimize: 1.3.2
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.22
ChimeraX-ModelPanel: 1.6
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0.1
ChimeraX-MutationScores: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.15.2
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.12
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.5
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.4
ChimeraX-ProfileGrids: 1.4.2
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.6.5
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.3
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.2
ChimeraX-Scenes: 0.3.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.3
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.10
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.17.3
ChimeraX-Shape: 1.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.2.1
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-SimilarStructures: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.19.1
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.2.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.5.2
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.3
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.49.1
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.2
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDock: 1.5.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.5
ChimeraX-Zone: 1.0.1
click: 8.3.1
colorama: 0.4.6
comm: 0.2.3
contourpy: 1.3.3
coverage: 7.13.1
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.1.4
debugpy: 1.8.19
decorator: 5.2.1
docutils: 0.21.2
executing: 2.2.1
filelock: 3.19.1
fonttools: 4.61.1
frozenlist: 1.8.0
funcparserlib: 2.0.0a0
glfw: 2.10.0
grako: 3.16.5
h11: 0.16.0
h5py: 3.15.1
html2text: 2025.4.15
httpcore: 1.0.9
httpx: 0.28.1
httpx-sse: 0.4.3
idna: 3.11
ihm: 2.2
imagecodecs: 2024.6.1
imagesize: 1.4.1
iniconfig: 2.3.0
ipykernel: 6.30.1
ipython: 9.5.0
ipython_pygments_lexers: 1.1.1
ipywidgets: 8.1.8
jedi: 0.19.2
Jinja2: 3.1.6
jsonschema: 4.26.0
jsonschema-specifications: 2025.9.1
jupyter_client: 8.6.3
jupyter_core: 5.9.1
jupyterlab_widgets: 3.0.16
kiwisolver: 1.4.9
line_profiler: 5.0.0
lxml: 6.0.2
lz4: 4.3.2
Markdown: 3.8.2
MarkupSafe: 3.0.3
matplotlib: 3.10.7
matplotlib-inline: 0.2.1
mcp: 1.18.0
msgpack: 1.1.1
multidict: 6.7.0
ndindex: 1.10.1
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.14.1
numpy: 1.26.4
OpenMM: 8.2.0
openvr: 1.26.701
packaging: 25.0
ParmEd: 4.2.2
parso: 0.8.5
pep517: 0.13.1
pexpect: 4.9.0
pickleshare: 0.7.5
pillow: 11.3.0
pip: 25.2
pkginfo: 1.12.1.2
platformdirs: 4.5.1
pluggy: 1.6.0
prompt_toolkit: 3.0.52
propcache: 0.4.1
psutil: 7.0.0
ptyprocess: 0.7.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pybind11: 3.0.1
pycollada: 0.8
pydantic: 2.12.5
pydantic-settings: 2.12.0
pydantic_core: 2.41.5
pydicom: 2.4.4
Pygments: 2.18.0
pynmrstar: 3.3.6
pynrrd: 1.0.0
PyOpenGL: 3.1.10
PyOpenGL-accelerate: 3.1.10
pyopenxr: 1.1.4501
pyparsing: 3.3.2
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.9.1
PyQt6-Qt6: 6.9.2
PyQt6-WebEngine-commercial: 6.9.0
PyQt6-WebEngine-Qt6: 6.9.2
PyQt6_sip: 13.10.2
pytest: 9.0.2
pytest-cov: 7.0.0
python-dateutil: 2.9.0.post0
python-dotenv: 1.2.1
python-multipart: 0.0.21
pyzmq: 27.1.0
qtconsole: 5.7.0
QtPy: 2.4.3
qtshim: 1.2
RandomWords: 0.4.0
referencing: 0.37.0
requests: 2.32.5
roman-numerals: 4.1.0
roman-numerals-py: 4.1.0
rpds-py: 0.30.0
scipy: 1.14.0
setuptools: 80.9.0
sfftk-rw: 0.8.1
six: 1.17.0
snowballstemmer: 3.0.1
sortedcontainers: 2.4.0
soupsieve: 2.8.3
Sphinx: 8.2.3
sphinx-autodoc-typehints: 3.2.0
sphinxcontrib-applehelp: 2.0.0
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 2.0.0
sphinxcontrib-htmlhelp: 2.1.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 2.0.0
sphinxcontrib-serializinghtml: 2.0.0
sse-starlette: 3.2.0
stack-data: 0.6.3
starlette: 0.52.1
superqt: 0.7.6
tables: 3.10.2
tcia_utils: 1.5.1
tifffile: 2025.3.13
tinyarray: 1.2.5
tornado: 6.5.4
traitlets: 5.14.3
typing-inspection: 0.4.2
typing_extensions: 4.15.0
urllib3: 2.6.3
uvicorn: 0.40.0
wcwidth: 0.3.2
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
widgetsnbextension: 4.0.15
yarl: 1.22.0
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