Opened 3 years ago

Last modified 3 years ago

#7235 feedback defect

Crash using color panel

Reported by: ichcharisma@… Owned by: Eric Pettersen
Priority: normal Milestone:
Component: Window Toolkit Version:
Keywords: Cc: Tom Goddard
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        macOS-10.16-x86_64-i386-64bit
ChimeraX Version: 1.4 (2022-06-03 23:39:42 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Aborted

Thread 0x0000700019c04000 (most recent call first):
  File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 316 in wait
  File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 574 in wait
  File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 1297 in run
  File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner
  File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap

Current thread 0x000000010b99c600 (most recent call first):
  File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 318 in event_loop
  File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/ChimeraX_main.py", line 870 in init
  File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/ChimeraX_main.py", line 1021 in 
  File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py", line 87 in _run_code
  File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py", line 197 in _run_module_as_main


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{
  "uptime" : 190000,
  "procLaunch" : "2022-07-05 16:31:51.4179 +0900",
  "procRole" : "Foreground",
  "version" : 2,
  "userID" : 501,
  "deployVersion" : 210,
  "modelCode" : "MacBookPro16,1",
  "procStartAbsTime" : 96137189303298,
  "coalitionID" : 464,
  "osVersion" : {
    "train" : "macOS 12.4",
    "build" : "21F79",
    "releaseType" : "User"
  },
  "captureTime" : "2022-07-07 14:17:57.9240 +0900",
  "incident" : "FB45BB80-02FE-4CE4-862E-810326C52301",
  "bug_type" : "309",
  "pid" : 34380,
  "procExitAbsTime" : 198072885975077,
  "cpuType" : "X86-64",
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX-1.4.app\/Contents\/MacOS\/ChimeraX",
  "bundleInfo" : {"CFBundleShortVersionString":"1.4.0","CFBundleVersion":"1.4.0.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
  "storeInfo" : {"deviceIdentifierForVendor":"82B96F1A-5EC8-559C-91A7-3529C0A78208","thirdParty":true},
  "parentProc" : "launchd",
  "parentPid" : 1,
  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "41A65D72-BF6F-AB83-4222-DE724F7A2F41",
  "wakeTime" : 15594,
  "bridgeVersion" : {"build":"19P5071","train":"6.5"},
  "sleepWakeUUID" : "F96C4FDD-BE46-4C0C-9B25-823A179228EB",
  "sip" : "enabled",
  "isCorpse" : 1,
  "exception" : {"codes":"0x0000000000000000, 0x0000000000000000","rawCodes":[0,0],"type":"EXC_CRASH","signal":"SIGABRT"},
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  "faultingThread" : 0,
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===== Log before crash start =====
Startup Messages  
---  
warning | Custom presets folder '/Users/ich/Charisma/S-PRED' does not exist  
  
UCSF ChimeraX version: 1.4 (2022-06-03)  
© 2016-2022 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open 2hyy

2hyy title:  
Human Abl kinase domain in complex with imatinib (STI571, Glivec) [more
info...]  
  
Chain information for 2hyy #1  
---  
Chain | Description | UniProt  
A B C D | Proto-oncogene tyrosine-protein kinase ABL1 | ABL1_HUMAN  
  
Non-standard residues in 2hyy #1  
---  
STI — 4-(4-methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-
pyrimidin-2-ylamino)-phenyl]-benzamide (sti-571;imatinib)  
  
2hyy mmCIF Assemblies  
---  
1| author_defined_assembly  
2| author_defined_assembly  
3| author_defined_assembly  
4| author_defined_assembly  
  

> sym #1 assembly 1 copies true

> close #1

> view

> select :sti

37 atoms, 41 bonds, 1 residue, 1 model selected  

> hide ~sel

> view

> view sel

> color sel & C salmoon

Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms', or 'random'
or a keyword  

> color sel & C salmon

> hbonds reveal true log true
    
    
    Finding intermodel H-bonds
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	2.1 2hyy
    
    356 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    /A HOH 1 O      /A HOH 169 O    no hydrogen  3.017  N/A
    /A HOH 1 O      /A ASP 421 OD1  no hydrogen  2.912  N/A
    /A HOH 2 O      /A HOH 106 O    no hydrogen  2.560  N/A
    /A HOH 2 O      /A ARG 328 O    no hydrogen  2.609  N/A
    /A HOH 2 O      /A CYS 330 O    no hydrogen  2.711  N/A
    /A HOH 17 O     /A HOH 108 O    no hydrogen  2.600  N/A
    /A HOH 17 O     /A ARG 473 O    no hydrogen  2.667  N/A
    /A HOH 17 O     /A TRP 476 O    no hydrogen  3.453  N/A
    /A HOH 20 O     /A TYR 435 O    no hydrogen  2.552  N/A
    /A HOH 21 O     /A HOH 176 O    no hydrogen  3.360  N/A
    /A HOH 21 O     /A SER 446 O    no hydrogen  2.774  N/A
    /A HOH 23 O     /A GLU 355 OE2  no hydrogen  2.633  N/A
    /A HOH 37 O     /A ASP 381 OD2  no hydrogen  2.924  N/A
    /A HOH 39 O     /A HOH 169 O    no hydrogen  3.069  N/A
    /A HOH 39 O     /A SER 417 O    no hydrogen  3.494  N/A
    /A HOH 39 O     /A SER 420 OG   no hydrogen  2.418  N/A
    /A HOH 39 O     /A ASP 421 OD1  no hydrogen  2.959  N/A
    /A HOH 46 O     /A HOH 187 O    no hydrogen  2.588  N/A
    /A HOH 50 O     /A HOH 130 O    no hydrogen  3.179  N/A
    /A HOH 52 O     /A HOH 141 O    no hydrogen  2.517  N/A
    /A HOH 52 O     /A TYR 320 O    no hydrogen  2.597  N/A
    /A HOH 52 O     /A ASN 322 O    no hydrogen  2.497  N/A
    /A HOH 54 O     /A HOH 109 O    no hydrogen  2.508  N/A
    /A HOH 54 O     /A ILE 403 O    no hydrogen  2.664  N/A
    /A HOH 54 O     /A THR 406 O    no hydrogen  2.784  N/A
    /A HOH 65 O     /A GLU 431 OE1  no hydrogen  2.718  N/A
    /A HOH 65 O     /A MET 437 O    no hydrogen  2.948  N/A
    /A HOH 66 O     /A HOH 157 O    no hydrogen  2.710  N/A
    /A HOH 68 O     /A THR 389 O    no hydrogen  2.583  N/A
    /A HOH 73 O     /A THR 392 OG1  no hydrogen  2.829  N/A
    /A HOH 75 O     /A LEU 452 O    no hydrogen  3.078  N/A
    /A HOH 75 O     /A ASP 455 OD1  no hydrogen  3.511  N/A
    /A HOH 81 O     /A MET 290 O    no hydrogen  3.024  N/A
    /A HOH 81 O     /A ILE 293 O    no hydrogen  3.093  N/A
    /A HOH 81 O     /A VAL 299 O    no hydrogen  3.402  N/A
    /A HOH 82 O     /A GLN 477 OE1  no hydrogen  2.888  N/A
    /A HOH 82 O     /A ASP 482 OD2  no hydrogen  2.957  N/A
    /A HOH 84 O     /A ASP 391 O    no hydrogen  3.189  N/A
    /A HOH 84 O     /A THR 392 O    no hydrogen  3.170  N/A
    /A HOH 84 O     /A THR 394 OG1  no hydrogen  2.760  N/A
    /A HOH 87 O     /A HIS 361 O    no hydrogen  2.921  N/A
    /A HOH 87 O     /A ASP 381 OD1  no hydrogen  3.131  N/A
    /A HOH 87 O     /A ASP 381 OD2  no hydrogen  2.478  N/A
    /A HOH 88 O     /A GLU 462 OE1  no hydrogen  2.446  N/A
    /A HOH 89 O     /A TYR 440 OH   no hydrogen  2.703  N/A
    /A HOH 93 O     /A HIS 396 ND1  no hydrogen  3.195  N/A
    /A HOH 94 O     /A ASP 363 OD2  no hydrogen  2.633  N/A
    /A HOH 94 O     /A ASP 381 OD1  no hydrogen  2.666  N/A
    /A HOH 96 O     /A HOH 127 O    no hydrogen  2.706  N/A
    /A HOH 96 O     /A PRO 441 O    no hydrogen  2.745  N/A
    /A HOH 104 O    /A HOH 181 O    no hydrogen  2.623  N/A
    /A HOH 106 O    /A HOH 2 O      no hydrogen  2.560  N/A
    /A HOH 106 O    /A LEU 327 O    no hydrogen  2.793  N/A
    /A HOH 106 O    /A ARG 328 O    no hydrogen  3.092  N/A
    /A HOH 108 O    /A HOH 17 O     no hydrogen  2.600  N/A
    /A HOH 108 O    /A ASP 455 OD1  no hydrogen  3.381  N/A
    /A HOH 109 O    /A HOH 54 O     no hydrogen  2.508  N/A
    /A HOH 109 O    /A LYS 404 O    no hydrogen  2.721  N/A
    /A HOH 109 O    /A TYR 440 OH   no hydrogen  2.767  N/A
    /A HOH 110 O    /A GLY 442 O    no hydrogen  2.470  N/A
    /A HOH 127 O    /A HOH 96 O     no hydrogen  2.706  N/A
    /A HOH 127 O    /A TYR 456 OH   no hydrogen  2.818  N/A
    /A HOH 130 O    /A HOH 50 O     no hydrogen  3.179  N/A
    /A HOH 130 O    /A PRO 439 O    no hydrogen  2.532  N/A
    /A HOH 133 O    /A GLU 334 OE1  no hydrogen  2.855  N/A
    /A HOH 141 O    /A HOH 52 O     no hydrogen  2.517  N/A
    /A HOH 141 O    /A ASP 325 OD2  no hydrogen  3.453  N/A
    /A HOH 144 O    /A SER 385 O    no hydrogen  2.580  N/A
    /A HOH 144 O    /A MET 388 O    no hydrogen  2.639  N/A
    /A HOH 146 O    /A GLU 286 OE2  no hydrogen  2.707  N/A
    /A HOH 146 O    /A ASP 381 O    no hydrogen  2.670  N/A
    /A HOH 157 O    /A HOH 66 O     no hydrogen  2.710  N/A
    /A HOH 157 O    /A GLU 431 OE1  no hydrogen  2.696  N/A
    /A HOH 169 O    /A HOH 1 O      no hydrogen  3.017  N/A
    /A HOH 169 O    /A HOH 39 O     no hydrogen  3.069  N/A
    /A HOH 169 O    /A ARG 362 O    no hydrogen  3.192  N/A
    /A HOH 176 O    /A HOH 21 O     no hydrogen  3.360  N/A
    /A HOH 176 O    /A GLU 450 OE2  no hydrogen  2.686  N/A
    /A HOH 181 O    /A HOH 104 O    no hydrogen  2.623  N/A
    /A HOH 181 O    /A THR 389 O    no hydrogen  3.465  N/A
    /A HOH 181 O    /A THR 392 OG1  no hydrogen  2.640  N/A
    /A HOH 187 O    /A HOH 46 O     no hydrogen  2.588  N/A
    /A HOH 188 O    /A ASP 363 OD1  no hydrogen  2.552  N/A
    /A HOH 188 O    /A LEU 364 O    no hydrogen  2.989  N/A
    /A HOH 197 O    /A SER 349 O    no hydrogen  3.208  N/A
    /A HOH 197 O    /A SER 349 OG   no hydrogen  3.298  N/A
    /A ASP 241 N    /A GLU 238 O    no hydrogen  2.572  N/A
    /A THR 243 N    /A VAL 260 O    no hydrogen  3.422  N/A
    /A LYS 245 N    /A GLU 258 O    no hydrogen  2.948  N/A
    /A LYS 247 NZ   /A GLU 255 OE2  no hydrogen  3.132  N/A
    /A LEU 248 N    /A VAL 256 O    no hydrogen  3.124  N/A
    /A GLY 251 N    /A LEU 248 O    no hydrogen  3.050  N/A
    /A GLN 252 N    /A GLY 249 O    no hydrogen  3.327  N/A
    /A GLN 252 NE2  /A ASN 322 OD1  no hydrogen  3.260  N/A
    /A GLY 254 N    /A GLY 251 O    no hydrogen  3.375  N/A
    /A VAL 256 N    /A GLY 254 O    no hydrogen  2.736  N/A
    /A TYR 257 N    /A VAL 270 O    no hydrogen  2.833  N/A
    /A TYR 257 OH   /A GLU 255 OE1  no hydrogen  2.573  N/A
    /A GLU 258 N    /A HIS 246 O    no hydrogen  2.662  N/A
    /A GLY 259 N    /A VAL 268 O    no hydrogen  2.973  N/A
    /A VAL 260 N    /A THR 243 O    no hydrogen  3.337  N/A
    /A TRP 261 N    /A LEU 266 O    no hydrogen  2.370  N/A
    /A LYS 262 N    /A ASP 241 O    no hydrogen  2.990  N/A
    /A LYS 262 NZ   /A THR 240 O    no hydrogen  2.759  N/A
    /A TYR 264 N    /A TRP 261 O    no hydrogen  2.775  N/A
    /A SER 265 N    /A LYS 262 O    no hydrogen  2.941  N/A
    /A LEU 266 N    /A TRP 261 O    no hydrogen  3.266  N/A
    /A VAL 268 N    /A GLY 259 O    no hydrogen  2.716  N/A
    /A ALA 269 N    /A THR 315 O    no hydrogen  3.073  N/A
    /A VAL 270 N    /A TYR 257 O    no hydrogen  2.858  N/A
    /A LYS 271 N    /A ILE 313 O    no hydrogen  2.748  N/A
    /A LYS 271 NZ   /A GLU 286 OE1  no hydrogen  3.004  N/A
    /A THR 272 N    /A GLU 255 O    no hydrogen  2.777  N/A
    /A LEU 273 N    /A PHE 311 O    no hydrogen  3.072  N/A
    /A PHE 283 N    /A GLU 279 O    no hydrogen  3.250  N/A
    /A LEU 284 N    /A VAL 280 O    no hydrogen  3.246  N/A
    /A LEU 284 N    /A GLU 281 O    no hydrogen  3.324  N/A
    /A LYS 285 N    /A GLU 281 O    no hydrogen  3.233  N/A
    /A GLU 286 N    /A GLU 282 O    no hydrogen  3.129  N/A
    /A ALA 287 N    /A PHE 283 O    no hydrogen  3.377  N/A
    /A ALA 288 N    /A LEU 284 O    no hydrogen  3.187  N/A
    /A VAL 289 N    /A LYS 285 O    no hydrogen  2.820  N/A
    /A MET 290 N    /A GLU 286 O    no hydrogen  2.954  N/A
    /A LYS 291 N    /A ALA 287 O    no hydrogen  3.008  N/A
    /A GLU 292 N    /A VAL 289 O    no hydrogen  2.908  N/A
    /A ILE 293 N    /A MET 290 O    no hydrogen  3.227  N/A
    /A LYS 294 N    /A TYR 353 OH   no hydrogen  2.902  N/A
    /A HIS 295 NE2  /A SER 349 OG   no hydrogen  3.076  N/A
    /A ASN 297 ND2  /A VAL 377 O    no hydrogen  3.054  N/A
    /A LEU 298 N    /A HIS 295 O    no hydrogen  3.228  N/A
    /A VAL 299 N    /A VAL 379 O    no hydrogen  2.923  N/A
    /A GLN 300 N    /A GLU 316 OE1  no hydrogen  2.790  N/A
    /A LEU 301 N    /A HOH 81 O     no hydrogen  3.257  N/A
    /A LEU 302 N    /A ILE 314 O    no hydrogen  2.750  N/A
    /A GLY 303 N    /A ILE 314 O    no hydrogen  3.182  N/A
    /A VAL 304 N    /A TRP 235 O    no hydrogen  3.024  N/A
    /A CYS 305 N    /A TYR 312 O    no hydrogen  3.104  N/A
    /A CYS 305 SG   /A MET 237 O    no hydrogen  3.333  N/A
    /A THR 306 N    /A GLU 236 OE2  no hydrogen  3.069  N/A
    /A THR 306 OG1  /A GLU 236 OE2  no hydrogen  2.958  N/A
    /A TYR 312 N    /A CYS 305 O    no hydrogen  3.198  N/A
    /A ILE 313 N    /A LYS 271 O    no hydrogen  2.914  N/A
    /A ILE 314 N    /A GLY 303 O    no hydrogen  2.728  N/A
    /A THR 315 N    /A ALA 269 O    no hydrogen  3.025  N/A
    /A THR 315 OG1  /A GLU 316 O    no hydrogen  3.003  N/A
    /A GLU 316 N    /A GLN 300 O    no hydrogen  3.058  N/A
    /A MET 318 N    /A STI 600 N3   no hydrogen  2.937  N/A
    /A THR 319 OG1  /A GLU 373 OE1  no hydrogen  3.130  N/A
    /A TYR 320 N    /A VAL 371 O    no hydrogen  2.919  N/A
    /A TYR 320 OH   /A GLU 373 OE2  no hydrogen  3.217  N/A
    /A GLY 321 N    /A MET 318 O    no hydrogen  3.098  N/A
    /A LEU 323 N    /A CYS 369 O    no hydrogen  2.739  N/A
    /A TYR 326 N    /A ASN 322 O    no hydrogen  2.999  N/A
    /A LEU 327 N    /A LEU 323 O    no hydrogen  2.862  N/A
    /A ARG 328 N    /A LEU 324 O    no hydrogen  3.213  N/A
    /A ARG 328 N    /A ASP 325 O    no hydrogen  2.957  N/A
    /A ARG 328 NE   /A GLY 436 O    no hydrogen  2.658  N/A
    /A ARG 328 NH2  /A GLY 436 O    no hydrogen  2.848  N/A
    /A GLU 329 N    /A ASP 325 O    no hydrogen  2.842  N/A
    /A GLU 329 N    /A TYR 326 O    no hydrogen  3.276  N/A
    /A CYS 330 SG   /A LEU 327 O    no hydrogen  3.416  N/A
    /A ASN 331 N    /A HOH 133 O    no hydrogen  3.208  N/A
    /A ASN 331 ND2  /A HOH 180 O    no hydrogen  3.017  N/A
    /A ARG 332 NE   /A HOH 106 O    no hydrogen  2.854  N/A
    /A ARG 332 NH2  /A HOH 106 O    no hydrogen  3.232  N/A
    /A GLN 333 N    /A ASN 331 OD1  no hydrogen  2.766  N/A
    /A GLU 334 N    /A ASN 331 OD1  no hydrogen  3.193  N/A
    /A VAL 335 N    /A ASN 331 O    no hydrogen  2.760  N/A
    /A ASN 336 N    /A GLU 334 O    no hydrogen  2.917  N/A
    /A VAL 339 N    /A ASN 336 OD1  no hydrogen  3.332  N/A
    /A LEU 340 N    /A ASN 336 O    no hydrogen  2.904  N/A
    /A LEU 341 N    /A ALA 337 O    no hydrogen  3.129  N/A
    /A TYR 342 N    /A VAL 338 O    no hydrogen  2.908  N/A
    /A MET 343 N    /A VAL 339 O    no hydrogen  2.765  N/A
    /A ALA 344 N    /A LEU 340 O    no hydrogen  3.017  N/A
    /A THR 345 N    /A LEU 341 O    no hydrogen  2.903  N/A
    /A THR 345 OG1  /A LEU 341 O    no hydrogen  2.816  N/A
    /A GLN 346 N    /A TYR 342 O    no hydrogen  3.196  N/A
    /A GLN 346 NE2  /A TYR 342 O    no hydrogen  3.023  N/A
    /A GLN 346 NE2  /A HIS 375 O    no hydrogen  2.903  N/A
    /A ILE 347 N    /A MET 343 O    no hydrogen  3.299  N/A
    /A SER 348 N    /A ALA 344 O    no hydrogen  3.068  N/A
    /A SER 348 OG   /A ALA 344 O    no hydrogen  3.221  N/A
    /A SER 348 OG   /A THR 345 O    no hydrogen  2.559  N/A
    /A SER 348 OG   /A HIS 490 ND1  no hydrogen  3.369  N/A
    /A SER 349 N    /A THR 345 O    no hydrogen  2.902  N/A
    /A SER 349 OG   /A HOH 197 O    no hydrogen  3.298  N/A
    /A SER 349 OG   /A HIS 295 NE2  no hydrogen  3.076  N/A
    /A ALA 350 N    /A GLN 346 O    no hydrogen  2.994  N/A
    /A MET 351 N    /A ILE 347 O    no hydrogen  2.884  N/A
    /A GLU 352 N    /A SER 348 O    no hydrogen  2.762  N/A
    /A TYR 353 N    /A SER 349 O    no hydrogen  3.088  N/A
    /A LEU 354 N    /A ALA 350 O    no hydrogen  3.238  N/A
    /A GLU 355 N    /A MET 351 O    no hydrogen  2.883  N/A
    /A LYS 356 N    /A GLU 352 O    no hydrogen  3.091  N/A
    /A LYS 357 N    /A TYR 353 O    no hydrogen  2.980  N/A
    /A ASN 358 N    /A GLU 355 O    no hydrogen  2.823  N/A
    /A PHE 359 N    /A LEU 354 O    no hydrogen  2.721  N/A
    /A HIS 361 N    /A ASP 421 OD2  no hydrogen  2.749  N/A
    /A HIS 361 NE2  /A ALA 380 O    no hydrogen  2.574  N/A
    /A ARG 362 N    /A ASP 421 OD1  no hydrogen  2.872  N/A
    /A ASP 363 N    /A HIS 361 ND1  no hydrogen  3.003  N/A
    /A LEU 364 N    /A HOH 1 O      no hydrogen  2.777  N/A
    /A ALA 366 N    /A GLU 431 OE2  no hydrogen  2.901  N/A
    /A ARG 367 N    /A HOH 157 O    no hydrogen  2.780  N/A
    /A ARG 367 NE   /A TYR 393 OH   no hydrogen  2.949  N/A
    /A ARG 367 NH1  /A HOH 66 O     no hydrogen  2.793  N/A
    /A ARG 367 NH2  /A ASP 363 OD1  no hydrogen  2.855  N/A
    /A ARG 367 NH2  /A TYR 393 OH   no hydrogen  3.526  N/A
    /A ASN 368 N    /A ALA 365 O    no hydrogen  2.985  N/A
    /A ASN 368 ND2  /A HOH 94 O     no hydrogen  3.064  N/A
    /A ASN 368 ND2  /A ASP 363 O    no hydrogen  2.798  N/A
    /A ASN 368 ND2  /A ASP 363 OD2  no hydrogen  3.143  N/A
    /A CYS 369 N    /A ALA 366 O    no hydrogen  3.030  N/A
    /A CYS 369 SG   /A ALA 365 O    no hydrogen  3.679  N/A
    /A LEU 370 N    /A LYS 378 O    no hydrogen  2.797  N/A
    /A VAL 371 N    /A GLY 321 O    no hydrogen  2.830  N/A
    /A GLY 372 N    /A LEU 376 O    no hydrogen  2.670  N/A
    /A HIS 375 NE2  /A GLU 334 OE2  no hydrogen  3.055  N/A
    /A VAL 377 N    /A GLN 346 OE1  no hydrogen  2.687  N/A
    /A LYS 378 N    /A LEU 370 O    no hydrogen  2.887  N/A
    /A LYS 378 NZ   /A GLU 316 OE1  no hydrogen  2.328  N/A
    /A LYS 378 NZ   /A GLU 316 OE2  no hydrogen  2.592  N/A
    /A VAL 379 N    /A ASN 297 O    no hydrogen  2.940  N/A
    /A ALA 380 N    /A ASN 368 O    no hydrogen  2.778  N/A
    /A ASP 381 N    /A STI 600 O29  no hydrogen  2.981  N/A
    /A PHE 382 N    /A ASN 368 OD1  no hydrogen  3.082  N/A
    /A GLY 383 N    /A ASP 381 OD1  no hydrogen  3.347  N/A
    /A MET 388 N    /A LEU 384 O    no hydrogen  2.927  N/A
    /A ASP 391 N    /A HOH 104 O    no hydrogen  2.891  N/A
    /A THR 392 N    /A HOH 181 O    no hydrogen  3.010  N/A
    /A THR 392 OG1  /A HOH 73 O     no hydrogen  2.829  N/A
    /A THR 392 OG1  /A HOH 181 O    no hydrogen  2.640  N/A
    /A TYR 393 OH   /A ASP 363 OD1  no hydrogen  3.222  N/A
    /A TYR 393 OH   /A ASP 363 OD2  no hydrogen  2.475  N/A
    /A THR 394 N    /A PHE 401 O    no hydrogen  2.898  N/A
    /A THR 394 OG1  /A HOH 84 O     no hydrogen  2.760  N/A
    /A HIS 396 N    /A ALA 399 O    no hydrogen  2.568  N/A
    /A ALA 399 N    /A HIS 396 O    no hydrogen  2.976  N/A
    /A LYS 400 NZ   /A HOH 144 O    no hydrogen  3.054  N/A
    /A PHE 401 N    /A THR 394 O    no hydrogen  2.865  N/A
    /A ILE 403 N    /A HOH 84 O     no hydrogen  3.238  N/A
    /A LYS 404 NZ   /A HOH 130 O    no hydrogen  2.500  N/A
    /A LYS 404 NZ   /A PRO 439 O    no hydrogen  3.358  N/A
    /A LYS 404 NZ   /A TYR 440 O    no hydrogen  2.669  N/A
    /A LYS 404 NZ   /A ILE 443 O    no hydrogen  3.057  N/A
    /A TRP 405 N    /A PRO 402 O    no hydrogen  2.996  N/A
    /A TRP 405 NE1  /A GLU 431 OE2  no hydrogen  3.015  N/A
    /A THR 406 N    /A ILE 403 O    no hydrogen  3.214  N/A
    /A THR 406 OG1  /A PRO 402 O    no hydrogen  2.575  N/A
    /A GLU 409 N    /A GLU 409 OE1  no hydrogen  2.962  N/A
    /A SER 410 N    /A ALA 407 O    no hydrogen  3.044  N/A
    /A SER 410 OG   /A LYS 415 O    no hydrogen  2.731  N/A
    /A LEU 411 N    /A ALA 407 O    no hydrogen  3.031  N/A
    /A ALA 412 N    /A PRO 408 O    no hydrogen  2.591  N/A
    /A TYR 413 N    /A GLU 409 O    no hydrogen  2.819  N/A
    /A ASN 414 N    /A SER 410 O    no hydrogen  3.148  N/A
    /A ASN 414 ND2  /A HOH 150 O    no hydrogen  3.141  N/A
    /A LYS 415 N    /A GLU 409 O    no hydrogen  3.403  N/A
    /A SER 417 N    /A SER 420 OG   no hydrogen  3.047  N/A
    /A LYS 419 NZ   /A HOH 23 O     no hydrogen  2.778  N/A
    /A LYS 419 NZ   /A ARG 483 O    no hydrogen  2.713  N/A
    /A LYS 419 NZ   /A PRO 484 O    no hydrogen  3.187  N/A
    /A SER 420 N    /A SER 417 O    no hydrogen  2.856  N/A
    /A SER 420 OG   /A HOH 39 O     no hydrogen  2.418  N/A
    /A SER 420 OG   /A SER 417 O    no hydrogen  2.807  N/A
    /A ASP 421 N    /A SER 417 O    no hydrogen  3.273  N/A
    /A VAL 422 N    /A ILE 418 O    no hydrogen  2.965  N/A
    /A TRP 423 N    /A LYS 419 O    no hydrogen  3.155  N/A
    /A TRP 423 NE1  /A HOH 109 O    no hydrogen  2.893  N/A
    /A ALA 424 N    /A SER 420 O    no hydrogen  2.924  N/A
    /A PHE 425 N    /A ASP 421 O    no hydrogen  2.866  N/A
    /A GLY 426 N    /A VAL 422 O    no hydrogen  3.149  N/A
    /A VAL 427 N    /A TRP 423 O    no hydrogen  3.367  N/A
    /A VAL 427 N    /A ALA 424 O    no hydrogen  3.089  N/A
    /A LEU 428 N    /A ALA 424 O    no hydrogen  2.873  N/A
    /A LEU 429 N    /A PHE 425 O    no hydrogen  2.731  N/A
    /A TRP 430 N    /A GLY 426 O    no hydrogen  3.383  N/A
    /A TRP 430 NE1  /A GLU 459 O    no hydrogen  3.035  N/A
    /A GLU 431 N    /A VAL 427 O    no hydrogen  2.981  N/A
    /A ILE 432 N    /A LEU 428 O    no hydrogen  3.021  N/A
    /A ALA 433 N    /A LEU 429 O    no hydrogen  3.079  N/A
    /A THR 434 N    /A TRP 430 O    no hydrogen  3.142  N/A
    /A THR 434 OG1  /A TRP 430 O    no hydrogen  2.820  N/A
    /A THR 434 OG1  /A GLU 431 O    no hydrogen  3.382  N/A
    /A TYR 435 N    /A ILE 432 O    no hydrogen  3.040  N/A
    /A TYR 435 OH   /A VAL 335 O    no hydrogen  2.596  N/A
    /A GLY 436 N    /A GLU 431 O    no hydrogen  2.616  N/A
    /A MET 437 N    /A THR 434 OG1  no hydrogen  3.036  N/A
    /A SER 438 N    /A HOH 71 O     no hydrogen  3.171  N/A
    /A TYR 440 OH   /A HOH 89 O     no hydrogen  2.703  N/A
    /A TYR 440 OH   /A HOH 109 O    no hydrogen  2.767  N/A
    /A GLY 442 N    /A HOH 50 O     no hydrogen  2.975  N/A
    /A ILE 443 N    /A TYR 440 O    no hydrogen  3.090  N/A
    /A SER 446 OG   /A ASP 444 OD2  no hydrogen  2.991  N/A
    /A GLN 447 N    /A ASP 444 O    no hydrogen  2.948  N/A
    /A GLN 447 NE2  /A ASP 444 OD2  no hydrogen  3.137  N/A
    /A VAL 448 N    /A LEU 445 O    no hydrogen  3.433  N/A
    /A GLU 450 N    /A HOH 21 O     no hydrogen  2.862  N/A
    /A LEU 451 N    /A GLN 447 O    no hydrogen  3.056  N/A
    /A LEU 452 N    /A VAL 448 O    no hydrogen  2.948  N/A
    /A GLU 453 N    /A TYR 449 O    no hydrogen  2.851  N/A
    /A LYS 454 N    /A GLU 450 O    no hydrogen  3.074  N/A
    /A ASP 455 N    /A LEU 452 O    no hydrogen  2.977  N/A
    /A TYR 456 N    /A LEU 451 O    no hydrogen  2.752  N/A
    /A TYR 456 OH   /A HOH 127 O    no hydrogen  2.818  N/A
    /A ARG 457 NE   /A TRP 476 O    no hydrogen  3.053  N/A
    /A ARG 457 NH1  /A LEU 452 O    no hydrogen  2.745  N/A
    /A ARG 457 NH1  /A TYR 456 O    no hydrogen  3.006  N/A
    /A ARG 457 NH2  /A HOH 75 O     no hydrogen  2.579  N/A
    /A ARG 457 NH2  /A TRP 476 O    no hydrogen  2.938  N/A
    /A MET 458 N    /A HOH 89 O     no hydrogen  2.981  N/A
    /A GLU 459 N    /A GLU 459 OE1  no hydrogen  2.434  N/A
    /A ARG 460 NH1  /A CYS 464 O    no hydrogen  2.733  N/A
    /A CYS 464 N    /A PRO 461 O    no hydrogen  3.453  N/A
    /A CYS 464 SG   /A PRO 465 O    no hydrogen  3.464  N/A
    /A TYR 469 N    /A PRO 465 O    no hydrogen  3.069  N/A
    /A TYR 469 OH   /A MET 458 O    no hydrogen  2.771  N/A
    /A GLU 470 N    /A GLU 466 O    no hydrogen  2.851  N/A
    /A LEU 471 N    /A LYS 467 O    no hydrogen  3.058  N/A
    /A MET 472 N    /A VAL 468 O    no hydrogen  2.885  N/A
    /A ARG 473 N    /A TYR 469 O    no hydrogen  2.783  N/A
    /A ARG 473 NE   /A TYR 469 OH   no hydrogen  3.081  N/A
    /A ARG 473 NH2  /A TYR 469 OH   no hydrogen  3.362  N/A
    /A ALA 474 N    /A GLU 470 O    no hydrogen  2.967  N/A
    /A CYS 475 N    /A LEU 471 O    no hydrogen  3.000  N/A
    /A CYS 475 SG   /A LEU 471 O    no hydrogen  3.274  N/A
    /A TRP 476 N    /A MET 472 O    no hydrogen  3.156  N/A
    /A GLN 477 N    /A ALA 474 O    no hydrogen  3.138  N/A
    /A ASN 479 N    /A HOH 82 O     no hydrogen  3.060  N/A
    /A SER 481 OG   /A ASN 479 OD1  no hydrogen  3.169  N/A
    /A ASP 482 N    /A ASN 479 O    no hydrogen  2.907  N/A
    /A ARG 483 N    /A PRO 480 O    no hydrogen  2.948  N/A
    /A ARG 483 NE   /A GLN 477 O    no hydrogen  2.736  N/A
    /A ARG 483 NH1  /A GLU 409 OE1  no hydrogen  3.132  N/A
    /A ARG 483 NH1  /A GLU 409 OE2  no hydrogen  2.604  N/A
    /A ARG 483 NH1  /A LYS 419 O    no hydrogen  2.990  N/A
    /A ARG 483 NH2  /A GLU 409 OE1  no hydrogen  2.549  N/A
    /A ARG 483 NH2  /A GLN 477 O    no hydrogen  3.234  N/A
    /A ARG 483 NH2  /A TRP 478 O    no hydrogen  3.019  N/A
    /A PHE 486 N    /A GLU 355 OE2  no hydrogen  3.091  N/A
    /A ALA 487 N    /A GLU 355 OE1  no hydrogen  3.032  N/A
    /A GLU 488 N    /A SER 485 OG   no hydrogen  2.904  N/A
    /A ILE 489 N    /A SER 485 O    no hydrogen  2.952  N/A
    /A HIS 490 N    /A PHE 486 O    no hydrogen  2.719  N/A
    /A GLN 491 N    /A ALA 487 O    no hydrogen  2.969  N/A
    /A ALA 492 N    /A GLU 488 O    no hydrogen  2.886  N/A
    /A PHE 493 N    /A ILE 489 O    no hydrogen  2.801  N/A
    /A GLU 494 N    /A HIS 490 O    no hydrogen  2.651  N/A
    /A THR 495 N    /A GLN 491 O    no hydrogen  2.923  N/A
    /A THR 495 OG1  /A GLN 491 O    no hydrogen  3.109  N/A
    /A MET 496 N    /A ALA 492 O    no hydrogen  3.239  N/A
    /A PHE 497 N    /A PHE 493 O    no hydrogen  3.123  N/A
    /A STI 600 N13  /A THR 315 OG1  no hydrogen  3.014  N/A
    /A STI 600 N21  /A GLU 286 OE2  no hydrogen  3.089  N/A
    /A STI 600 N51  /A ILE 360 O    no hydrogen  2.723  N/A
    

  
356 hydrogen bonds found  

> delete #2.1.2

> close #2.1.2

> hide ~sel

> hbonds sel reveal true log true
    
    
    Finding intermodel H-bonds
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	2.1 2hyy
    
    5 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    /A MET 318 N    /A STI 600 N3   no hydrogen  2.937  N/A
    /A ASP 381 N    /A STI 600 O29  no hydrogen  2.981  N/A
    /A STI 600 N13  /A THR 315 OG1  no hydrogen  3.014  N/A
    /A STI 600 N21  /A GLU 286 OE2  no hydrogen  3.089  N/A
    /A STI 600 N51  /A ILE 360 O    no hydrogen  2.723  N/A
    

  
5 hydrogen bonds found  

> contacts sel makePseudobonds false reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: True
    
    87 contacts
        atom1           atom2       overlap  distance
    /A STI 600 C52  /A ASP 381 OD2   0.332    2.968
    /A STI 600 C52  /A HIS 361 O     0.321    2.979
    /A STI 600 C53  /A ASP 381 OD2   0.265    3.035
    /A STI 600 C11  /A PHE 382 CD2   0.225    3.295
    /A STI 600 N10  /A PHE 382 CD2   0.206    3.194
    /A STI 600 C20  /A ALA 269 CB    0.140    3.620
    /A STI 600 C50  /A ILE 360 O     0.121    3.179
    /A STI 600 C54  /A ILE 360 O     0.104    3.196
    /A STI 600 N3   /A PHE 317 CD1   0.070    3.330
    /A STI 600 C18  /A LYS 271 CB    0.057    3.583
    /A STI 600 C11  /A VAL 256 CG1   0.052    3.588
    /A STI 600 C2   /A MET 318 O     0.038    3.142
    /A STI 600 C2   /A PHE 317 CE1   0.034    3.486
    /A STI 600 O29  /A VAL 299 CG1   0.022    3.278
    /A STI 600 N21  /A MET 290 CE    0.021    3.499
    /A STI 600 N10  /A PHE 382 CE2   0.017    3.383
    /A STI 600 C46  /A VAL 289 CG1   -0.013    3.773
    /A STI 600 C54  /A HIS 361 O     -0.021    3.321
    /A STI 600 C11  /A PHE 382 CE2   -0.027    3.547
    /A STI 600 C2   /A PHE 317 CD1   -0.038    3.558
    /A STI 600 C46  /A ILE 293 CD1   -0.041    3.801
    /A STI 600 N3   /A MET 318 N     -0.057    2.937
    /A STI 600 N51  /A ILE 360 O     -0.063    2.723
    /A STI 600 C17  /A HOH 146 O     -0.064    3.284
    /A STI 600 C6   /A LEU 370 CD2   -0.073    3.713
    /A STI 600 C49  /A VAL 289 CG1   -0.074    3.834
    /A STI 600 C20  /A LYS 271 N     -0.089    3.609
    /A STI 600 C25  /A ASP 381 CB    -0.112    3.752
    /A STI 600 C20  /A ALA 269 C     -0.136    3.626
    /A STI 600 C20  /A ALA 269 O     -0.137    3.437
    /A STI 600 C16  /A HOH 146 O     -0.141    3.211
    /A STI 600 C5   /A LEU 248 CD1   -0.142    3.632
    /A STI 600 C9   /A PHE 382 CE2   -0.143    3.513
    /A STI 600 C17  /A MET 290 SD    -0.146    3.676
    /A STI 600 C17  /A MET 290 CE    -0.146    3.786
    /A STI 600 C6   /A LEU 248 CD1   -0.150    3.790
    /A STI 600 C54  /A ARG 362 CD    -0.168    3.928
    /A STI 600 C29  /A MET 290 CE    -0.174    3.814
    /A STI 600 C6   /A TYR 253 CE1   -0.176    3.696
    /A STI 600 C54  /A ARG 362 CG    -0.186    3.946
    /A STI 600 C23  /A ASP 381 CB    -0.187    3.677
    /A STI 600 C53  /A ASP 381 CG    -0.190    3.950
    /A STI 600 C22  /A ASP 381 O     -0.190    3.220
    /A STI 600 C18  /A ILE 313 CG2   -0.192    3.832
    /A STI 600 C20  /A LYS 271 CB    -0.193    3.953
    /A STI 600 N8   /A ALA 269 CB    -0.206    3.726
    /A STI 600 N3   /A PHE 317 CA    -0.215    3.735
    /A STI 600 C29  /A ASP 381 CB    -0.216    3.856
    /A STI 600 C25  /A ASP 381 N     -0.217    3.617
    /A STI 600 O29  /A ALA 380 CB    -0.227    3.527
    /A STI 600 C5   /A LEU 370 CD2   -0.239    3.729
    /A STI 600 N21  /A MET 290 SD    -0.245    3.255
    /A STI 600 C17  /A GLU 286 OE2   -0.246    3.426
    /A STI 600 C49  /A ILE 360 O     -0.277    3.577
    /A STI 600 C52  /A HOH 87 O      -0.277    3.617
    /A STI 600 C12  /A VAL 256 CG1   -0.285    3.925
    /A STI 600 C12  /A TYR 253 CG    -0.288    3.658
    /A STI 600 C53  /A ASP 381 CB    -0.289    4.049
    /A STI 600 C14  /A THR 315 CG2   -0.297    3.787
    /A STI 600 C16  /A MET 290 SD    -0.301    3.681
    /A STI 600 C12  /A TYR 253 CD2   -0.302    3.822
    /A STI 600 N3   /A MET 318 CA    -0.307    3.827
    /A STI 600 N13  /A THR 315 OG1   -0.314    3.014
    /A STI 600 C12  /A LEU 248 CD1   -0.314    3.954
    /A STI 600 C11  /A TYR 253 CB    -0.315    3.955
    /A STI 600 C12  /A TYR 253 CD1   -0.316    3.836
    /A STI 600 O29  /A ASP 381 N     -0.321    2.981
    /A STI 600 C15  /A VAL 299 CG1   -0.321    3.961
    /A STI 600 O29  /A ALA 380 CA    -0.328    3.628
    /A STI 600 C4   /A LEU 370 CD1   -0.329    3.969
    /A STI 600 C2   /A MET 318 N     -0.333    3.733
    /A STI 600 C12  /A PHE 382 CE2   -0.335    3.855
    /A STI 600 C20  /A VAL 256 CG1   -0.343    4.103
    /A STI 600 C4   /A LEU 370 CD2   -0.348    3.988
    /A STI 600 C17  /A ILE 313 CG2   -0.349    3.989
    /A STI 600 C1   /A GLY 321 CA    -0.356    3.996
    /A STI 600 C20  /A THR 315 OG1   -0.357    3.697
    /A STI 600 C22  /A ASP 381 N     -0.359    3.609
    /A STI 600 C7   /A LEU 248 CD1   -0.361    3.851
    /A STI 600 C1   /A LEU 370 CD2   -0.372    4.012
    /A STI 600 N3   /A PHE 317 CE1   -0.377    3.777
    /A STI 600 C26  /A ASP 381 CB    -0.382    4.022
    /A STI 600 C15  /A THR 315 CG2   -0.382    4.022
    /A STI 600 C14  /A THR 315 OG1   -0.386    3.456
    /A STI 600 C53  /A HIS 361 O     -0.387    3.687
    /A STI 600 C19  /A THR 315 CG2   -0.388    3.878
    /A STI 600 C52  /A ASP 381 CG    -0.393    4.153
    

  
87 contacts  

> label @@display

> hide solvent

> select clear

> cartoon suppressBackboneDisplay true

> cartoon suppressBackboneDisplay false

> name resist :250,253,256,301,315,317,320,351,373,381

> color resist & C gold target al

> show resist

> style resist ball

Changed 86 atom styles  

> view resist clip false

> label height 1.0

> sequence chain /a

Alignment identifier is 2.1/A  

> select resist

86 atoms, 79 bonds, 10 residues, 1 model selected  

> select
> /A:249-252,263-265,279-292,323-330,336-357,365-367,373-375,383-388,402-414,417-434,444-454,465-476,479-483,485-497

1058 atoms, 1070 bonds, 135 residues, 1 model selected  

> select
> /A:242-247,256-261,266-272,301-305,312-316,321-322,369-371,377-379,394-396,399-401

329 atoms, 325 bonds, 43 residues, 1 model selected  

> close session

> log cleaar

Expected a keyword  

> log clear

> open 1fpp

Summary of feedback from opening 1fpp fetched from pdb  
---  
notes | Fetching compressed mmCIF 1fpp from
http://files.rcsb.org/download/1fpp.cif  
Fetching CCD ZN from http://ligand-expo.rcsb.org/reports/Z/ZN/ZN.cif  
Fetching CCD PO4 from http://ligand-expo.rcsb.org/reports/P/PO4/PO4.cif  
Fetching CCD FPP from http://ligand-expo.rcsb.org/reports/F/FPP/FPP.cif  
  
1fpp title:  
Protein farnesyltransferase complex with farnesyl diphosphate [more info...]  
  
Chain information for 1fpp #1  
---  
Chain | Description | UniProt  
A | protein farnesyltransferase | PFTA_RAT  
B | protein farnesyltransferase | PFTB_RAT  
  
Non-standard residues in 1fpp #1  
---  
FPP — farnesyl diphosphate  
PO4 — phosphate ion  
ZN — zinc ion  
  

> mlp

Map values for surface "1fpp_A SES surface": minimum -28.46, mean -4.976,
maximum 24.73  
Map values for surface "1fpp_B SES surface": minimum -27.83, mean -4.111,
maximum 22.2  

> surface zone #1 nearAtoms :fpp distance 8 maxComponents 1

> :fpp

Unknown command: segmentation :fpp  

> select :fpp

24 atoms, 23 bonds, 1 residue, 1 model selected  

> view sel clip false

> surface unzone

Missing or invalid "surfaces" argument: empty atom specifier  

> surface unzone #1

> surface zone #1 nearAtoms :fpp distance 8

> clsoe

Unknown command: clsoe  

> close

> log clear

> open 4xt3

Summary of feedback from opening 4xt3 fetched from pdb  
---  
notes | Fetching compressed mmCIF 4xt3 from
http://files.rcsb.org/download/4xt3.cif  
Fetching CCD PCA from http://ligand-expo.rcsb.org/reports/P/PCA/PCA.cif  
  
4xt3 title:  
Structure of a viral GPCR bound to human chemokine CX3CL1 [more info...]  
  
Chain information for 4xt3 #1  
---  
Chain | Description | UniProt  
A | G-protein coupled receptor homolog US28 | US28_HCMVA  
B | Fractalkine | X3CL1_HUMAN  
  
Non-standard residues in 4xt3 #1  
---  
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose  
PO4 — phosphate ion  
UNL — unknown ligand  
  

> mlp

Map values for surface "4xt3_A SES surface": minimum -28.71, mean 1.122,
maximum 23.28  
Map values for surface "4xt3_B SES surface": minimum -25.15, mean -4.785,
maximum 22.04  

> cllose

Unknown command: cllose  

> clsoe

Unknown command: clsoe  

> clsoeclose

Unknown command: clsoeclose  

> close

> log clear

> oepn 1g74

Unknown command: oepn 1g74  

> open 1g74

Summary of feedback from opening 1g74 fetched from pdb  
---  
note | Fetching compressed mmCIF 1g74 from
http://files.rcsb.org/download/1g74.cif  
  
1g74 title:  
Toward changing specificity: adipocyte lipid binding protein mutant, oleic
acid bound form [more info...]  
  
Chain information for 1g74 #1  
---  
Chain | Description | UniProt  
A | adipocyte lipid-binding protein | FABPA_MOUSE  
  
Non-standard residues in 1g74 #1  
---  
OLA — oleic acid  
PO4 — phosphate ion  
  

> surface

> clip

> clip model #!1 false

> hide ~:ola target ar

> color :ola & C green

> clip off

> clip

> mlp

Map values for surface "1g74_A SES surface": minimum -27.91, mean -5.662,
maximum 22.39  

> mlp protein surfaces #1.1.1

Map values for surface "cap front": minimum -49.7, mean -5.238, maximum 50.42  

> transparency #1.1.1 30

> coulombic protein

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for 1g74_A SES surface #1.1: minimum, -11.34, mean -0.02,
maximum 10.80  

> coulombic protein surfaces #1.1.1 offset 0

Coulombic values for cap front #1.1.1: minimum, -1195.30, mean 4.91, maximum
1221.48  

> close

> log clear

> open 3d6y

Summary of feedback from opening 3d6y fetched from pdb  
---  
notes | Fetching compressed mmCIF 3d6y from
http://files.rcsb.org/download/3d6y.cif  
Fetching CCD BER from http://ligand-expo.rcsb.org/reports/B/BER/BER.cif  
Fetching CCD GOL from http://ligand-expo.rcsb.org/reports/G/GOL/GOL.cif  
  
3d6y title:  
Crystal structure of R275E mutant of BMRR bound to DNA and berberine [more
info...]  
  
Chain information for 3d6y #1  
---  
Chain | Description | UniProt  
A | Multidrug-efflux transporter 1 regulator | BMRR_BACSU  
B | BMR promoter DNA |  
  
Non-standard residues in 3d6y #1  
---  
BER — berberine  
GOL — glycerol (glycerin; propane-1,2,3-triol)  
  
3d6y mmCIF Assemblies  
---  
1| author_and_software_defined_assembly  
  

> close

> open 3d6y fromDatabase rcsb_bio max 1

Expected keyword "maxAssemblies" or "maxModels"  

> open 3d6y fromDatabase rcsb_bio maxAssemblies 1

Summary of feedback from opening 3d6y fetched from rcsb_bio  
---  
note | Fetching compressed 3d6y bioassembly 1 from
https://files.rcsb.org/download/3d6y-assembly1.cif  
  
3d6y bioassembly 1 title:  
Crystal structure of R275E mutant of BMRR bound to DNA and berberine [more
info...]  
  
Chain information for 3d6y bioassembly 1 #1  
---  
Chain | Description  
A A-2 | Multidrug-efflux transporter 1 regulator  
B B-2 | BMR promoter DNA  
  
Non-standard residues in 3d6y bioassembly 1 #1  
---  
BER — berberine  
GOL — glycerol (glycerin; propane-1,2,3-triol)  
  
Opened 1 biological assemblies for 3d6y  

> turn x 90

> turn x -90

> turn y 90

> turn y -90

> turn z 90

> turn z -90

> turn x -180

> turn y -180

> turn z -180

> hide :gol

> hide solvent

> hide protein

> select clear

> color protein

> coulombic protein

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for 3d6y bioassembly 1_A SES surface #1.1: minimum, -16.84,
mean -2.11, maximum 14.59  
Coulombic values for 3d6y bioassembly 1_A-2 SES surface #1.2: minimum, -16.17,
mean -2.12, maximum 15.04  

> color nucleic tan

> cartoon style nucleic xsection round width 1.5 thickness 1.5

> nucleotides stubs

> size :ber stickRadius .7

Changed 58 bond radii  

> color C & :ber limegreen

> coulombic protein key true

Coulombic values for 3d6y bioassembly 1_A SES surface #1.1: minimum, -16.84,
mean -2.11, maximum 14.59  
Coulombic values for 3d6y bioassembly 1_A-2 SES surface #1.2: minimum, -16.17,
mean -2.12, maximum 15.04  

> key red-white-blue :-10 :0 :10 showTool true

> ui mousemode right "color key"

> ui mousemode right translate

> set bgColor white

> lighting soft

> lighting gentle

> sil t

Unknown command: sil t  

> sil tsill t

Unknown command: sil tsill t  

> sill t

Unknown command: sill t  

> sil t

Unknown command: sil t  

> set silhouettes true

> set silhouettes true width 1

Expected a keyword  

> sil thickness 1

Unknown command: sil thickness 1  

> set silhouetteDepthJump 0.02

> close

> pwd

Current working directory is: /Users/ich/Desktop  

> cd /Users/ich/charisma/SPRED/ep2_ab/

Current working directory is: /Users/ich/Charisma/SPRED/ep2_ab  

> open /Users/ich/Charisma/SPRED/ep2_ab/ep2_opm.cxs format session

opened ChimeraX session  

> show #!4 models

> ui mousemode right zoom

> ui mousemode right "move label"

> 2dlabels #4.2 xpos 0.191 ypos 0.795

> 2dlabels #4.3 xpos 0.650 ypos 0.481

> mpl protein key t

Unknown command: mpl protein key t  

> mlp protein key true

Map values for surface "7cx2.pdb_A SES surface": minimum -27.87, mean -4.57,
maximum 23.19  
Map values for surface "7cx2.pdb_B SES surface": minimum -29.35, mean -5.506,
maximum 22.67  
Map values for surface "7cx2.pdb_G SES surface": minimum -25.31, mean -3.553,
maximum 22.06  
Map values for surface "7cx2.pdb_N SES surface": minimum -28.01, mean -7.039,
maximum 21.45  
Map values for surface "7cx2.pdb_R SES surface": minimum -27.26, mean
-0.06245, maximum 23.32  

> key lipophilicity :-20 :0 :20 showTool true

> ui mousemode right "color key"

> key lipophilicity :-20 :0 :H

> key lipophilicity :-20 :0 :HP

> key lipophilicity :H :0 :HP

> key lipophilicity :HF :0 :HP

> ui mousemode right "move label"

> 2dlabels #4.1 xpos 0.185 ypos 0.933

> ui mousemode right zoom

> ui mousemode right "move label"

> 2dlabels #4.3 xpos 0.673 ypos 0.438

> 2dlabels #4.2 xpos 0.171 ypos 0.801

> mlp protein key true

Map values for surface "7cx2.pdb_A SES surface": minimum -27.87, mean -4.57,
maximum 23.19  
Map values for surface "7cx2.pdb_B SES surface": minimum -29.35, mean -5.506,
maximum 22.67  
Map values for surface "7cx2.pdb_G SES surface": minimum -25.31, mean -3.553,
maximum 22.06  
Map values for surface "7cx2.pdb_N SES surface": minimum -28.01, mean -7.039,
maximum 21.45  
Map values for surface "7cx2.pdb_R SES surface": minimum -27.26, mean
-0.06245, maximum 23.32  

> key lipophilicity :-20 :0 :20 showTool true

> ui mousemode right "color key"

> key border false

> key border true

> key border false

> key border true

> key border false

> key pos 0.69000,0.08000

> key pos 0.68000,0.08000

> key pos 0.67000,0.08000

> key pos 0.66000,0.08000

> key pos 0.65000,0.08000

> key pos 0.64000,0.08000

> key pos 0.63000,0.08000

> key pos 0.62000,0.08000

> key pos 0.61000,0.08000

> key pos 0.60000,0.08000

> key pos 0.60000,0.07000

> key size 0.24000,0.05000

> key size 0.23000,0.05000

> key size 0.22000,0.05000

> key size 0.21000,0.05000

> key size 0.21000,0.04000

> key size 0.21000,0.03000

> key size 0.20000,0.03000

> key size 0.19000,0.03000

> key lipophilicity :-20 :0 :H

> key lipophilicity :-20 :0 :HF

> key lipophilicity :H :0 :HF

> key lipophilicity :HP :0 :HF

> ui mousemode right "move label"

> ui mousemode right zoom

> ui mousemode right "move label"

> 2dlabels #4.3 xpos 0.670 ypos 0.437

> 2dlabels #4.2 xpos 0.167 ypos 0.792

> 2dlabels #4.1 xpos 0.160 ypos 0.935

> save 7cx2_mlp.png

> ui mousemode right zoom

> ui mousemode right "move label"

> 2dlabels #4.3 xpos 0.666 ypos 0.446

> 2dlabels #4.2 xpos 0.175 ypos 0.805

> 2dlabels #4.1 xpos 0.176 ypos 0.931

> key lipophilicity :Hphilic :0 :Hphobic

> ui mousemode right zoom

> ui mousemode right "move label"

> 2dlabels #4.2 xpos 0.177 ypos 0.815

> 2dlabels #4.3 xpos 0.662 ypos 0.435

> 2dlabels #4.3 xpos 0.663 ypos 0.444

> ui mousemode right zoom

> pwd

Current working directory is: /Users/ich/Charisma/SPRED/ep2_ab  

> save ab_surface.cxs

> close

> log clear

> open ep2_7cx2.pdb

Chain information for ep2_7cx2.pdb #1  
---  
Chain | Description  
R | No description available  
  

> view

> zoom 1.1

> color teal

> lighting gentle

> lighting soft

> sill t

Unknown command: sill t  

> set sill t

Expected a keyword  

> set silhouettes true

> set silDepth 1

Expected a keyword  

> set silD

Expected a keyword  

> set sillhouetteDepth 1

Expected a keyword  

> set sillhouettedepth .02

Expected a keyword  

> set sildepth .02

Expected a keyword  

> set silhouetteDepthJump .02

> silhouette

Unknown command: silhouette  

> graphics silhouettes width 5

> graphics silhouettes width .5

> graphics silhouettes width 1

> set silhouettes true color white dept .02

Expected a keyword  

> set silhouettes color white dept .02

Invalid "silhouettes" argument: Expected true or false (or 1 or 0)  

> graphics silhouettes color white depthJump .02

QMainWindowLayout::tabPosition called with out-of-bounds value '0'  

> select pseudo

Expected an objects specifier or a keyword  

> select non protein

Expected an objects specifier or a keyword  

> select !=protein

Expected an objects specifier or a keyword  

> select pbonds

2 pseudobonds, 1 model selected  

> color sel yellow

> select clear

> color sel yellow target b

> color sel yellow target c

> select pbonds

2 pseudobonds, 1 model selected  

> select clear

> color pbonds yellow target b

> color pbonds yellow target c

> color pbonds yellow target f

> select pbonds\

Expected an objects specifier or a keyword  

> select pbonds

2 pseudobonds, 1 model selected  

> hide atoms

> hide cartoons

> show cartoons

> select clear

> graphics silhouettes false

> color #1.1 #ff2f92 models transparency 0

> color #1.1 #941100 models transparency 0

> color #1.1 #ff2600 models transparency 0

> color #1 #009051 transparency 0

> color main teal

> color main moss

Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms', or 'random'
or a keyword  

> color #1 #009051 transparency 0

> color list

No custom colors.  
248 builtin colors: alice blue

, aliceblue

, antique white

, antiquewhite

, aqua

, aquamarine

, azure

, beige

, bisque

, black

, blanched almond

, blanchedalmond

, blue

, blue violet

, blueviolet

, brown

, burly wood

, burlywood

, cadet blue

, cadetblue

, chartreuse

, chocolate

, coral

, cornflower blue

, cornflowerblue

, cornsilk

, crimson

, cyan

, dark blue

, dark cyan

, dark goldenrod

, dark gray

, dark green

, dark grey

, dark khaki

, dark magenta

, dark olive green

, dark orange

, dark orchid

, dark red

, dark salmon

, dark sea green

, dark seagreen

, dark slate blue

, dark slate gray

, dark slate grey

, dark turquoise

, dark violet

, darkblue

, darkcyan

, darkgoldenrod

, darkgray

, darkgreen

, darkgrey

, darkkhaki

, darkmagenta

, darkolivegreen

, darkorange

, darkorchid

, darkred

, darksalmon

, darkseagreen

, darkslateblue

, darkslategray

, darkslategrey

, darkturquoise

, darkviolet

, deep pink

, deep sky blue

, deep skyblue

, deeppink

, deepskyblue

, dim gray

, dim grey

, dimgray

, dimgrey

, dodger blue

, dodgerblue

, fire brick

, firebrick

, floral white

, floralwhite

, forest green

, forestgreen

, fuchsia

, gainsboro

, ghost white

, ghostwhite

, gold

, goldenrod

, gray

, green

, green yellow

, greenyellow

, grey

, honeydew

, hot pink

, hotpink

, indian red

, indianred

, indigo

, ivory

, khaki

, lavender

, lavender blush

, lavenderblush

, lawn green

, lawngreen

, lemon chiffon

, lemonchiffon

, light blue

, light coral

, light cyan

, light goldenrod yellow

, light gray

, light green

, light grey

, light pink

, light salmon

, light sea green

, light seagreen

, light sky blue

, light skyblue

, light slate gray

, light slate grey

, light steel blue

, light yellow

, lightblue

, lightcoral

, lightcyan

, lightgoldenrodyellow

, lightgray

, lightgreen

, lightgrey

, lightpink

, lightsalmon

, lightseagreen

, lightskyblue

, lightslategray

, lightslategrey

, lightsteelblue

, lightyellow

, lime

, lime green

, limegreen

, linen

, magenta

, maroon

, medium aquamarine

, medium blue

, medium orchid

, medium purple

, medium sea green

, medium seagreen

, medium slate blue

, medium spring green

, medium turquoise

, medium violet red

, mediumaquamarine

, mediumblue

, mediumorchid

, mediumpurple

, mediumseagreen

, mediumslateblue

, mediumspringgreen

, mediumturquoise

, mediumvioletred

, midnight blue

, midnightblue

, mint cream

, mintcream

, misty rose

, mistyrose

, moccasin

, navajo white

, navajowhite

, navy

, old lace

, oldlace

, olive

, olive drab

, olivedrab

, orange

, orange red

, orangered

, orchid

, pale goldenrod

, pale green

, pale turquoise

, pale violet red

, palegoldenrod

, palegreen

, paleturquoise

, palevioletred

, papaya whip

, papayawhip

, peach puff

, peachpuff

, peru

, pink

, plum

, powder blue

, powderblue

, purple

, rebecca purple

, rebeccapurple

, red

, rosy brown

, rosybrown

, royal blue

, royalblue

, saddle brown

, saddlebrown

, salmon

, sandy brown

, sandybrown

, sea green

, seagreen

, seashell

, sienna

, silver

, sky blue

, skyblue

, slate blue

, slate gray

, slate grey

, slateblue

, slategray

, slategrey

, snow

, spring green

, springgreen

, steel blue

, steelblue

, tan

, teal

, thistle

, tomato

, transparent

, turquoise

, violet

, wheat

, white

, white smoke

, whitesmoke

, yellow

, yellow green

, and yellowgreen

.  

> color #1 #00a65d transparency 0


===== Log before crash end =====

Log:
Startup Messages  
---  
warning | Custom presets folder '/Users/ich/Charisma/S-PRED' does not exist  
  
UCSF ChimeraX version: 1.4 (2022-06-03)  
© 2016-2022 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 ATI-4.8.54
OpenGL renderer: AMD Radeon Pro 5500M OpenGL Engine
OpenGL vendor: ATI Technologies Inc.

Python: 3.9.11
Locale: UTF-8
Qt version: PyQt6 6.3.0, Qt 6.3.0
Qt runtime version: 6.3.0
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro16,1
      Processor Name: 8-Core Intel Core i9
      Processor Speed: 2.3 GHz
      Number of Processors: 1
      Total Number of Cores: 8
      L2 Cache (per Core): 256 KB
      L3 Cache: 16 MB
      Hyper-Threading Technology: Enabled
      Memory: 16 GB
      System Firmware Version: 1731.120.10.0.0 (iBridge: 19.16.15071.0.0,0)
      OS Loader Version: 540.120.3~6

Software:

    System Software Overview:

      System Version: macOS 12.4 (21F79)
      Kernel Version: Darwin 21.5.0
      Time since boot: 3 days 29 minutes

Graphics/Displays:

    Intel UHD Graphics 630:

      Chipset Model: Intel UHD Graphics 630
      Type: GPU
      Bus: Built-In
      VRAM (Dynamic, Max): 1536 MB
      Vendor: Intel
      Device ID: 0x3e9b
      Revision ID: 0x0002
      Automatic Graphics Switching: Supported
      gMux Version: 5.0.0
      Metal Family: Supported, Metal GPUFamily macOS 2

    AMD Radeon Pro 5500M:

      Chipset Model: AMD Radeon Pro 5500M
      Type: GPU
      Bus: PCIe
      PCIe Lane Width: x16
      VRAM (Total): 4 GB
      Vendor: AMD (0x1002)
      Device ID: 0x7340
      Revision ID: 0x0040
      ROM Revision: 113-D3220E-190
      VBIOS Version: 113-D32206U1-020
      Option ROM Version: 113-D32206U1-020
      EFI Driver Version: 01.A1.190
      Automatic Graphics Switching: Supported
      gMux Version: 5.0.0
      Metal Family: Supported, Metal GPUFamily macOS 2
      Displays:
        Color LCD:
          Display Type: Built-In Retina LCD
          Resolution: 3072 x 1920 Retina
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: No
          Connection Type: Internal
        LG HDR WQHD:
          Resolution: 3440 x 1440 (UWQHD - Ultra-Wide Quad HD)
          UI Looks like: 3440 x 1440 @ 100.00Hz
          Framebuffer Depth: 24-Bit Color (ARGB8888)
          Display Serial Number: 111NTJJ17772
          Mirror: Off
          Online: Yes
          Rotation: Supported
          Connection Type: Thunderbolt/DisplayPort


Installed Packages:
    alabaster: 0.7.12
    appdirs: 1.4.4
    appnope: 0.1.3
    Babel: 2.10.1
    backcall: 0.2.0
    blockdiag: 3.0.0
    certifi: 2021.10.8
    cftime: 1.6.0
    charset-normalizer: 2.0.12
    ChimeraX-AddCharge: 1.2.3
    ChimeraX-AddH: 2.1.3
    ChimeraX-AlignmentAlgorithms: 2.0
    ChimeraX-AlignmentHdrs: 3.2.1
    ChimeraX-AlignmentMatrices: 2.0
    ChimeraX-Alignments: 2.4.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.0
    ChimeraX-Atomic: 1.39.1
    ChimeraX-AtomicLibrary: 7.0
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.1
    ChimeraX-BasicActions: 1.1
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.1
    ChimeraX-BondRot: 2.0
    ChimeraX-BugReporter: 1.0
    ChimeraX-BuildStructure: 2.7
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.1
    ChimeraX-ButtonPanel: 1.0
    ChimeraX-CageBuilder: 1.0
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.2
    ChimeraX-ChemGroup: 2.0
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.1
    ChimeraX-CommandLine: 1.2.3
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0
    ChimeraX-Core: 1.4
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.3.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0
    ChimeraX-DataFormats: 1.2.2
    ChimeraX-Dicom: 1.1
    ChimeraX-DistMonitor: 1.1.5
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ExperimentalCommands: 1.0
    ChimeraX-FileHistory: 1.0
    ChimeraX-FunctionKey: 1.0
    ChimeraX-Geometry: 1.2
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1
    ChimeraX-Hbonds: 2.1.2
    ChimeraX-Help: 1.2
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0
    ChimeraX-Label: 1.1.1
    ChimeraX-ListInfo: 1.1.1
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.1
    ChimeraX-Map: 1.1
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0
    ChimeraX-MapFilter: 2.0
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1
    ChimeraX-Markers: 1.0
    ChimeraX-Mask: 1.0
    ChimeraX-MatchMaker: 2.0.6
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.1
    ChimeraX-Meeting: 1.0
    ChimeraX-MLP: 1.1
    ChimeraX-mmCIF: 2.7
    ChimeraX-MMTF: 2.1
    ChimeraX-Modeller: 1.5.5
    ChimeraX-ModelPanel: 1.3.2
    ChimeraX-ModelSeries: 1.0
    ChimeraX-Mol2: 2.0
    ChimeraX-Morph: 1.0
    ChimeraX-MouseModes: 1.1
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nucleotides: 2.0.2
    ChimeraX-OpenCommand: 1.9
    ChimeraX-PDB: 2.6.6
    ChimeraX-PDBBio: 1.0
    ChimeraX-PDBLibrary: 1.0.2
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-ResidueFit: 1.0
    ChimeraX-RestServer: 1.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 2.0.1
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.6
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0
    ChimeraX-Shortcuts: 1.1
    ChimeraX-ShowAttr: 1.0
    ChimeraX-ShowSequences: 1.0
    ChimeraX-SideView: 1.0
    ChimeraX-Smiles: 2.1
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.8
    ChimeraX-STL: 1.0
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.0.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0
    ChimeraX-SwapAA: 2.0
    ChimeraX-SwapRes: 2.1.1
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.1
    ChimeraX-ToolshedUtils: 1.2.1
    ChimeraX-Tug: 1.0
    ChimeraX-UI: 1.2.1
    ChimeraX-uniprot: 2.2
    ChimeraX-UnitCell: 1.0
    ChimeraX-ViewDockX: 1.1.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0
    ChimeraX-WebServices: 1.1.0
    ChimeraX-Zone: 1.0
    colorama: 0.4.4
    cxservices: 1.2
    cycler: 0.11.0
    Cython: 0.29.26
    debugpy: 1.6.0
    decorator: 5.1.1
    docutils: 0.17.1
    entrypoints: 0.4
    filelock: 3.4.2
    fonttools: 4.33.3
    funcparserlib: 1.0.0
    grako: 3.16.5
    h5py: 3.7.0
    html2text: 2020.1.16
    idna: 3.3
    ihm: 0.27
    imagecodecs: 2021.11.20
    imagesize: 1.3.0
    ipykernel: 6.6.1
    ipython: 7.31.1
    ipython-genutils: 0.2.0
    jedi: 0.18.1
    Jinja2: 3.0.3
    jupyter-client: 7.1.0
    jupyter-core: 4.10.0
    kiwisolver: 1.4.2
    line-profiler: 3.4.0
    lxml: 4.7.1
    lz4: 3.1.10
    MarkupSafe: 2.1.1
    matplotlib: 3.5.1
    matplotlib-inline: 0.1.3
    MolecularDynamicsViewer: 1.4
    msgpack: 1.0.3
    nest-asyncio: 1.5.5
    netCDF4: 1.5.8
    networkx: 2.6.3
    numexpr: 2.8.1
    numpy: 1.22.1
    openvr: 1.16.802
    packaging: 21.0
    ParmEd: 3.4.3
    parso: 0.8.3
    pexpect: 4.8.0
    pickleshare: 0.7.5
    Pillow: 9.0.1
    pip: 21.3.1
    pkginfo: 1.8.2
    prompt-toolkit: 3.0.29
    psutil: 5.9.0
    ptyprocess: 0.7.0
    pycollada: 0.7.2
    pydicom: 2.2.2
    Pygments: 2.11.2
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.9
    PyQt6-commercial: 6.3.0
    PyQt6-Qt6: 6.3.0
    PyQt6-sip: 13.3.1
    PyQt6-WebEngine-commercial: 6.3.0
    PyQt6-WebEngine-Qt6: 6.3.0
    python-dateutil: 2.8.2
    pytz: 2022.1
    pyzmq: 23.1.0
    qtconsole: 5.3.0
    QtPy: 2.1.0
    RandomWords: 0.3.0
    requests: 2.27.1
    scipy: 1.7.3
    setuptools: 59.8.0
    sfftk-rw: 0.7.2
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    Sphinx: 4.3.2
    sphinx-autodoc-typehints: 1.15.2
    sphinxcontrib-applehelp: 1.0.2
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    suds-community: 1.0.0
    tables: 3.7.0
    tifffile: 2021.11.2
    tinyarray: 1.2.4
    tornado: 6.1
    traitlets: 5.1.1
    urllib3: 1.26.9
    wcwidth: 0.2.5
    webcolors: 1.11.1
    wheel: 0.37.1
    wheel-filename: 1.3.0

Change History (2)

comment:1 by Eric Pettersen, 3 years ago

Cc: Tom Goddard added
Component: UnassignedWindow Toolkit
Owner: set to Eric Pettersen
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionCrash using color panel

Hi Charisma,

Thanks for reporting this problem. It looks like you were using the color editor/panel when this crash occurred. Is that right? Was anything else going on? What were you changing the color of?

--Eric

Eric Pettersen
UCSF Computer Graphics Lab

comment:2 by Eric Pettersen, 3 years ago

Status: acceptedfeedback
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