Opened 2 hours ago
Closed 113 minutes ago
#20533 closed defect (duplicate)
Find Cavities not disposing of deleted structures
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Surface/Binding Analysis | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-15.7.3-arm64-arm-64bit
ChimeraX Version: 1.10.1 (2025-07-24 20:15:27 UTC)
Description
I am trying to save a session file after running kvfinder.
Log:
UCSF ChimeraX version: 1.10.1 (2025-07-24)
© 2016-2025 Regents of the University of California. All rights reserved.
> open
> /Users/morgandooley/Documents/GltPh_Oligomerization/GltPh_structure_file.cxs
Log from Wed Jun 24 12:28:31 2026UCSF ChimeraX version: 1.10.1 (2025-07-24)
© 2016-2025 Regents of the University of California. All rights reserved.
> open
> /Users/morgandooley/Documents/GltPh_Oligomerization/GltPh_structure_file.cxs
> format session
Log from Wed Jun 24 12:20:33 2026UCSF ChimeraX version: 1.10.1 (2025-07-24)
© 2016-2025 Regents of the University of California. All rights reserved.
> open
> /Users/morgandooley/Documents/GltPh_Oligomerization/cavity_figure_base.cxs
> format session
Log from Mon Jun 22 18:10:19 2026UCSF ChimeraX version: 1.10.1 (2025-07-24)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open /Users/morgandooley/Documents/GltPh_Oligomerization/gltph_wCavity.cif
Summary of feedback from opening
/Users/morgandooley/Documents/GltPh_Oligomerization/gltph_wCavity.cif
---
warnings | Unknown polymer entity '1' on line 36
Missing or incorrect sequence information. Inferred polymer connectivity.
Missing entity information. Treating each chain as a separate entity.
Atom XP is not in the residue template for CAV /X:6
Chain information for gltph_wCavity.cif
---
Chain | Description
1.1/A 1.1/B 1.1/C | No description available
Computing secondary structure
> select protein & cavity :< 4.5
Expected a keyword
> select #2:CAV :< 4.5
Nothing selected
> select #1:CAV :< 4.5
1501 atoms, 234 bonds, 31 residues, 2 models selected
> name contacts sel
> name list
contacts sel
> name delete contacts sel
Expected fewer arguments
> name delete contacts
> name list
There are no user-defined specifier names.
> name contacts_cav sel
> name list
contacts_cav sel
> ~select #2:CAV
1501 atoms, 234 bonds, 31 residues, 2 models selected
> ~select #1:CAV
249 atoms, 234 bonds, 30 residues, 1 model selected
> name contacts_only sel
> select clear
> select contacts_only
Nothing selected
> name delete
Missing or invalid "name" argument: Expected a text string
> name delete contacts_only
> name delete contacts_cav
> select #1:CAV :< 4.5 ~sel #1:CAV
Expected a keyword
> select #1:CAV :< 4.5
1501 atoms, 234 bonds, 31 residues, 2 models selected
> ~select #1:CAV
249 atoms, 234 bonds, 30 residues, 1 model selected
> namesel contacts_only sel
Unknown command: namesel contacts_only sel
> name frozen contacts_only sel
> select clear
> select contacts_only
249 atoms, 234 bonds, 30 residues, 1 model selected
> select #1
10738 atoms, 9666 bonds, 1249 residues, 3 models selected
> ~select ~contacts_only
249 atoms, 234 bonds, 30 residues, 1 model selected
> select #1
10738 atoms, 9666 bonds, 1249 residues, 3 models selected
> ~select ~contacts_only
249 atoms, 234 bonds, 30 residues, 1 model selected
> color contacts_only red
> color all gray 80
Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword
> color #1 gray 80
Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword
> color #1:all gray 80
Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword
> color #1 all gray 80
Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword
> color all gray 80
Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword
> select #1:CAV
1252 atoms, 1 residue, 1 model selected
> surface #1:CAV
> name cavity surface #1:CAV
"surface #1:CAV": invalid atom specifier
> name cavity #1:CAV
> select clear
> surface cavity
> select cavity
1252 atoms, 1 residue, 1 model selected
> transparency cavity 50
> name list
cavity #1:CAV
contacts_only [249 atoms, 468 bonds]
> show contacts_only atoms
> style contacts_only stick
Changed 249 atom styles
> color concacts_only bypolymer
Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword
> color concacts_only byatom
Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword
> color concacts_only bymodel
Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword
> color contacts_only bymodel
> color contacts_only byatom
> color contacts_only bymodel
> color contacts_only byatom
> label contacts_only residues
> hide #1 atoms
> show #1 cartoons
> color #1 gray80
Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword
> color #1 gray 80
Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword
> hide #!1.2 models
> show #!1.2 models
> hide #!1.1 models
> show #!1.1 models
> color #1 gray
> transparency #1 cartoons 30
Missing or invalid "percent" argument: Expected a number
> transparency #1 30
> show contacts_only atoms
> color contacts_only red
> color contacts_only byatom
> select ~contacts_only
10489 atoms, 9384 bonds, 1219 residues, 4 models selected
> select #1:CAV :< 4.5
1501 atoms, 234 bonds, 31 residues, 2 models selected
> ~select #1:CAV :< 4.5
1 model selected
> select #1:CAV :< 4.5
1501 atoms, 234 bonds, 31 residues, 2 models selected
> name cav_n_contacts #1:CAV :< 4.5
> ~select cav_n_contacts
1 model selected
> transparency #1 70 cartoons
> transparency contacts_only 0 cartoons
> transparency contacts_only 0 atoms
> select cavity
1252 atoms, 1 residue, 1 model selected
> color cavity green
> color cavity blue
> transparency cavity 80
> select contacts_only :> 15
6417 atoms, 6528 bonds, 846 residues, 1 model selected
> transparency sel 40 All
> transparency sel 90 All
> transparency sel 100 All
> select contacts_only :> 10
7400 atoms, 7520 bonds, 985 residues, 1 model selected
> select contacts_only :> 10, ~sel contacts_only :> 15
Expected a keyword
> select contacts_only :> 10, ~sel contacts_only :> 15
Expected a keyword
> select contacts_only :> 10
7400 atoms, 7520 bonds, 985 residues, 1 model selected
> ~select contacts_only :> 15
983 atoms, 944 bonds, 139 residues, 1 model selected
> transparency sel 80 All
> select clear
> set bgColor white
> lighting soft
> lighting full
> lighting simple
> set bgColor black
> save
> /Users/morgandooley/Documents/GltPh_Oligomerization/cavity_figure_base.cxs
——— End of log from Mon Jun 22 18:10:19 2026 ———
> view name session-start
opened ChimeraX session
> close session
> open 6X15 format mmcif fromDatabase pdb
6x15 title:
Inward-facing state of the glutamate transporter homologue GltPh in complex
with L-aspartate and sodium ions [more info...]
Chain information for 6x15 #1
---
Chain | Description
A B C | Glutamate transporter homologue GltPh
Non-standard residues in 6x15 #1
---
6OU — [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-
propan-2-yl] (~{Z})-octadec-9-enoate
ASP — aspartic acid
HG — mercury (II) ion
NA — sodium ion
> save
> /Users/morgandooley/Documents/GltPh_Oligomerization/GltPh_structure_file.cxs
——— End of log from Wed Jun 24 12:20:33 2026 ———
> view name session-start
opened ChimeraX session
> select add #1.1
51 pseudobonds, 1 model selected
> hide sel
> select subtract #1.1
Nothing selected
> select add #1
10026 atoms, 10146 bonds, 51 pseudobonds, 1320 residues, 2 models selected
> select subtract #1
Nothing selected
> select /a-c
10026 atoms, 10146 bonds, 51 pseudobonds, 1320 residues, 2 models selected
> select :6OU,NA,HG
654 atoms, 603 bonds, 51 residues, 1 model selected
> hide sel
> select /a-c
10026 atoms, 10146 bonds, 51 pseudobonds, 1320 residues, 2 models selected
> hide atoms
> select :1-75,120-220
4065 atoms, 4161 bonds, 528 residues, 1 model selected
> select :1-70,120-220
3969 atoms, 4062 bonds, 513 residues, 1 model selected
> select :1-70,125-220
3834 atoms, 3921 bonds, 498 residues, 1 model selected
> select :1-75,125-220
3930 atoms, 4020 bonds, 513 residues, 1 model selected
> name frozen scaffold sel
> select ~sel & ##selected
6096 atoms, 6126 bonds, 51 pseudobonds, 807 residues, 2 models selected
> name frozen transport sel
> save
> /Users/morgandooley/Documents/GltPh_Oligomerization/GltPh_structure_file.cxs
> color (#!1 & sel) light gray
> select ~sel & ##selected
3930 atoms, 4020 bonds, 513 residues, 1 model selected
> color sel cornflower blue
> select clear
> save
> /Users/morgandooley/Documents/GltPh_Oligomerization/GltPh_structure_file.cxs
——— End of log from Wed Jun 24 12:28:31 2026 ———
> view name session-start
opened ChimeraX session
> name list
scaffold [3930 atoms, 4020 bonds]
transport [6096 atoms, 6126 bonds, 2 models]
> ui tool show "Find Cavities"
> kvfinder gridSpacing 0.7 probeIn 1.2 probeOut 5.5
99 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.45 | | 1335.99 | 899.35 | 3895 | 0 | 0
1.2.33 | | 1001.9 | 883.06 | 2921 | 6.96 | 1.54
1.2.58 | | 995.39 | 854.89 | 2902 | 7.03 | 1.52
1.2.8 | | 945.99 | 827.7 | 2758 | 6.93 | 1.55
1.2.27 | | 747.05 | 573.24 | 2178 | 8.1 | 2.09
1.2.70 | | 664.05 | 455.94 | 1936 | 9.8 | 2.13
1.2.44 | | 648.27 | 450.94 | 1890 | 9.1 | 2.3
1.2.79 | | 133.77 | 109.63 | 390 | 2.89 | 0.78
1.2.20 | | 127.25 | 117.26 | 371 | 2.21 | 0.6
1.2.49 | | 126.91 | 127.16 | 370 | 2.32 | 0.73
1.2.7 | | 120.05 | 152.62 | 350 | 0 | 0
1.2.85 | | 117.31 | 124.38 | 342 | 6.93 | 3.75
1.2.61 | | 116.62 | 124.05 | 340 | 0 | 0
1.2.16 | | 115.25 | 124.32 | 336 | 0 | 0
1.2.72 | | 114.22 | 144.44 | 333 | 0 | 0
1.2.78 | | 113.88 | 140.31 | 332 | 0 | 0
1.2.55 | | 104.96 | 95.02 | 306 | 2.1 | 0.46
1.2.89 | | 85.41 | 123.8 | 249 | 0 | 0
1.2.17 | | 85.06 | 132.43 | 248 | 0 | 0
1.2.53 | | 77.52 | 118.11 | 226 | 0 | 0
1.2.83 | | 77.52 | 122.53 | 226 | 6.06 | 2.34
1.2.38 | | 65.51 | 83.36 | 191 | 2.1 | 0.8
1.2.93 | | 64.14 | 69.56 | 187 | 2.89 | 0.9
1.2.12 | | 62.77 | 64.07 | 183 | 2.89 | 0.97
1.2.47 | | 56.25 | 60.53 | 164 | 2.62 | 0.93
1.2.77 | | 37.04 | 57.78 | 108 | 0 | 0
1.2.43 | | 34.3 | 59.26 | 100 | 0 | 0
1.2.80 | | 34.3 | 55.77 | 100 | 4.48 | 1.55
1.2.60 | | 33.96 | 59.15 | 99 | 0 | 0
1.2.41 | | 32.58 | 53.45 | 95 | 0 | 0
1.2.84 | | 31.9 | 49.67 | 93 | 3.77 | 1.33
1.2.29 | | 31.21 | 52.45 | 91 | 0 | 0
1.2.30 | | 30.53 | 47.8 | 89 | 0 | 0
1.2.69 | | 30.53 | 49.56 | 89 | 0 | 0
1.2.24 | | 28.13 | 55.57 | 82 | 4.7 | 1.75
1.2.76 | | 27.78 | 42.74 | 81 | 1.4 | 0.4
1.2.48 | | 26.75 | 49.29 | 78 | 0 | 0
1.2.31 | | 25.72 | 38.12 | 75 | 1.57 | 0.34
1.2.5 | | 25.04 | 42.19 | 73 | 0 | 0
1.2.90 | | 19.55 | 36.76 | 57 | 0 | 0
1.2.99 | | 19.55 | 33.23 | 57 | 0 | 0
1.2.62 | | 19.21 | 37.64 | 56 | 0 | 0
1.2.92 | | 19.21 | 45.85 | 56 | 0 | 0
1.2.9 | | 17.15 | 35.89 | 50 | 0 | 0
1.2.39 | | 17.15 | 27.86 | 50 | 0.7 | 0.2
1.2.73 | | 17.15 | 33.07 | 50 | 1.4 | 0.32
1.2.52 | | 16.81 | 29.07 | 49 | 0.7 | 0.1
1.2.37 | | 16.12 | 39.37 | 47 | 0 | 0
1.2.57 | | 16.12 | 35.42 | 47 | 0 | 0
1.2.14 | | 15.78 | 31.43 | 46 | 1.57 | 0.34
1.2.3 | | 15.43 | 25.17 | 45 | 0.7 | 0.22
1.2.11 | | 15.09 | 29.18 | 44 | 0 | 0
1.2.54 | | 15.09 | 29.18 | 44 | 0 | 0
1.2.68 | | 14.75 | 24.39 | 43 | 0.7 | 0.2
1.2.66 | | 14.06 | 31.51 | 41 | 0 | 0
1.2.2 | | 13.72 | 20.49 | 40 | 1.57 | 0.5
1.2.88 | | 13.72 | 20.95 | 40 | 0.99 | 0.22
1.2.23 | | 13.38 | 20.27 | 39 | 1.4 | 0.28
1.2.34 | | 13.38 | 28.48 | 39 | 0 | 0
1.2.56 | | 13.38 | 28.48 | 39 | 0 | 0
1.2.82 | | 13.03 | 28.47 | 38 | 0 | 0
1.2.71 | | 12.35 | 30.77 | 36 | 0 | 0
1.2.67 | | 12 | 24.8 | 35 | 0 | 0
1.2.63 | | 10.98 | 20.44 | 32 | 1.71 | 0.9
1.2.1 | | 9.95 | 24.86 | 29 | 1.71 | 0.78
1.2.19 | | 9.6 | 21.06 | 28 | 0 | 0
1.2.22 | | 9.6 | 21.06 | 28 | 0 | 0
1.2.28 | | 9.6 | 21.06 | 28 | 0 | 0
1.2.46 | | 9.6 | 21.06 | 28 | 0 | 0
1.2.75 | | 9.6 | 21.06 | 28 | 0 | 0
1.2.35 | | 9.26 | 17.59 | 27 | 0.7 | 0.13
1.2.15 | | 8.92 | 11.44 | 26 | 0.7 | 0.11
1.2.36 | | 8.23 | 21.46 | 24 | 0.99 | 0.37
1.2.86 | | 7.89 | 17.5 | 23 | 1.98 | 0.89
1.2.4 | | 7.2 | 14.18 | 21 | 1.4 | 0.58
1.2.98 | | 6.86 | 13.59 | 20 | 0.99 | 0.34
1.2.6 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.10 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.13 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.18 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.21 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.25 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.40 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.42 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.50 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.51 | | 6.52 | 11.65 | 19 | 0.7 | 0.26
1.2.59 | | 6.52 | 13.56 | 19 | 0 | 0
1.2.64 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.65 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.74 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.81 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.87 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.91 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.94 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.95 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.96 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.97 | | 6.52 | 18.31 | 19 | 0 | 0
1.2.26 | | 5.83 | 12.83 | 17 | 0.7 | 0.16
1.2.32 | | 5.49 | 12.83 | 16 | 0.7 | 0.09
Populating font family aliases took 132 ms. Replace uses of missing font
family "Times" with one that exists to avoid this cost.
> view #1.2.45 @< 3.5
> zoom 0.75
moved plane near -29.545798891320946 [-0.00277775 -0.01561962 0.99987415]
moved plane far -29.545798891320946 [-0.00277775 -0.01561962 0.99987415]
> surface #1.2.1-99 probeRadius 1.2 transparency 50
> ~surface #1.2
> surface #1.2.45 probeRadius 1.2
> select #1.2.45
3895 atoms, 1 residue, 1 model selected
> kvfinder probeIn 1.2 probeOut 5.5
119 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.53 | | 1452.6 | 986.2 | 6725 | 0 | 0
1.2.36 | | 1282.61 | 1010.48 | 5938 | 8.09 | 1.82
1.2.9 | | 1234.87 | 969.38 | 5717 | 7.78 | 1.78
1.2.67 | | 1225.8 | 969.93 | 5675 | 7.73 | 1.77
1.2.81 | | 773.93 | 491.7 | 3583 | 9.6 | 2.27
1.2.26 | | 758.16 | 509.2 | 3510 | 9.6 | 2.27
1.2.54 | | 753.41 | 498.41 | 3488 | 9.08 | 2.32
1.2.100 | | 213.62 | 237.53 | 989 | 0 | 0
1.2.16 | | 201.1 | 162.73 | 931 | 2.68 | 0.63
1.2.66 | | 200.45 | 129.13 | 928 | 2.81 | 0.66
1.2.94 | | 193.97 | 146.98 | 898 | 3.23 | 0.78
1.2.59 | | 158.33 | 136.56 | 733 | 3.06 | 0.94
1.2.18 | | 118.58 | 120.07 | 549 | 0 | 0
1.2.45 | | 116.64 | 142.22 | 540 | 6.21 | 1.94
1.2.8 | | 116.42 | 135.11 | 539 | 0 | 0
1.2.73 | | 116.21 | 114.79 | 538 | 0 | 0
1.2.82 | | 115.78 | 133.7 | 536 | 0 | 0
1.2.93 | | 114.26 | 136.42 | 529 | 0 | 0
1.2.11 | | 92.02 | 89.95 | 426 | 3.93 | 1.17
1.2.111 | | 91.15 | 89.25 | 422 | 3.5 | 1.07
1.2.19 | | 90.5 | 115.36 | 419 | 0 | 0
1.2.64 | | 81 | 105.96 | 375 | 0 | 0
1.2.57 | | 79.7 | 84.23 | 369 | 3.7 | 1.02
1.2.101 | | 68.69 | 87.05 | 318 | 4.53 | 1.32
1.2.35 | | 65.88 | 83.86 | 305 | 3.06 | 0.95
1.2.92 | | 54.65 | 73.8 | 253 | 4.87 | 1.81
1.2.34 | | 46.66 | 54.94 | 216 | 2.4 | 0.55
1.2.102 | | 44.71 | 65.15 | 207 | 4.53 | 1.55
1.2.72 | | 39.74 | 58.58 | 184 | 0 | 0
1.2.1 | | 36.29 | 52.69 | 168 | 4.02 | 1.16
1.2.10 | | 35.64 | 54.18 | 165 | 3.45 | 0.97
1.2.25 | | 34.78 | 52.69 | 161 | 1.7 | 0.33
1.2.91 | | 31.97 | 45.94 | 148 | 0 | 0
1.2.31 | | 31.75 | 46.4 | 147 | 0 | 0
1.2.22 | | 30.67 | 37.43 | 142 | 1.7 | 0.45
1.2.117 | | 30.24 | 46.36 | 140 | 3.65 | 0.82
1.2.32 | | 30.02 | 45.33 | 139 | 0 | 0
1.2.78 | | 28.3 | 37.68 | 131 | 1.2 | 0.31
1.2.109 | | 28.08 | 42.49 | 130 | 0 | 0
1.2.90 | | 27.43 | 40 | 127 | 1.8 | 0.43
1.2.118 | | 27.22 | 40.43 | 126 | 0 | 0
1.2.15 | | 26.57 | 39.09 | 123 | 1.9 | 0.45
1.2.44 | | 26.57 | 39.16 | 123 | 1.2 | 0.25
1.2.63 | | 26.14 | 37.52 | 121 | 1.2 | 0.29
1.2.105 | | 25.49 | 31.17 | 118 | 1.34 | 0.38
1.2.58 | | 25.06 | 38.23 | 116 | 0 | 0
1.2.4 | | 24.62 | 32.12 | 114 | 1.34 | 0.4
1.2.6 | | 24.62 | 37.04 | 114 | 0 | 0
1.2.68 | | 21.82 | 38.38 | 101 | 0 | 0
1.2.99 | | 20.3 | 32.08 | 94 | 2.81 | 1.07
1.2.12 | | 20.09 | 34.05 | 93 | 0 | 0
1.2.76 | | 20.09 | 32.25 | 93 | 3.12 | 1.52
1.2.85 | | 19.66 | 35.41 | 91 | 1.8 | 0.51
1.2.62 | | 19.44 | 29.35 | 90 | 1.2 | 0.29
1.2.119 | | 17.93 | 28.88 | 83 | 0.85 | 0.31
1.2.13 | | 16.63 | 28.37 | 77 | 0 | 0
1.2.38 | | 16.42 | 29.42 | 76 | 0 | 0
1.2.65 | | 16.2 | 27.33 | 75 | 0 | 0
1.2.107 | | 16.2 | 27.01 | 75 | 0 | 0
1.2.110 | | 15.77 | 27.01 | 73 | 0 | 0
1.2.20 | | 15.55 | 26.2 | 72 | 0 | 0
1.2.2 | | 14.26 | 26.44 | 66 | 2.08 | 0.71
1.2.70 | | 14.26 | 26.1 | 66 | 0 | 0
1.2.103 | | 14.04 | 25.79 | 65 | 1.99 | 0.67
1.2.79 | | 13.18 | 23.81 | 61 | 0 | 0
1.2.48 | | 12.96 | 23.79 | 60 | 0.6 | 0.18
1.2.49 | | 12.96 | 25.2 | 60 | 0 | 0
1.2.52 | | 12.74 | 19.36 | 59 | 1.2 | 0.35
1.2.104 | | 12.1 | 20.14 | 56 | 0.6 | 0.18
1.2.39 | | 11.66 | 22.63 | 54 | 0 | 0
1.2.74 | | 11.66 | 21.34 | 54 | 0 | 0
1.2.98 | | 11.66 | 21.02 | 54 | 0 | 0
1.2.80 | | 11.02 | 20.14 | 51 | 0 | 0
1.2.112 | | 11.02 | 20.14 | 51 | 0 | 0
1.2.41 | | 10.37 | 17.27 | 48 | 0.6 | 0.14
1.2.89 | | 10.37 | 20.05 | 48 | 0 | 0
1.2.83 | | 10.15 | 19.57 | 47 | 1.47 | 0.47
1.2.108 | | 9.94 | 15.03 | 46 | 1.34 | 0.37
1.2.87 | | 9.72 | 18.43 | 45 | 0 | 0
1.2.75 | | 9.29 | 14.57 | 43 | 1.47 | 0.43
1.2.40 | | 8.64 | 16.75 | 40 | 0.6 | 0.11
1.2.106 | | 8.64 | 15.84 | 40 | 1.8 | 0.61
1.2.96 | | 7.99 | 13.44 | 37 | 0.85 | 0.26
1.2.21 | | 7.78 | 15.52 | 36 | 0 | 0
1.2.23 | | 7.78 | 15.52 | 36 | 0 | 0
1.2.27 | | 7.78 | 15.52 | 36 | 0 | 0
1.2.30 | | 7.78 | 15.52 | 36 | 0 | 0
1.2.50 | | 7.78 | 15.52 | 36 | 0 | 0
1.2.56 | | 7.78 | 15.52 | 36 | 0 | 0
1.2.60 | | 7.78 | 15.52 | 36 | 0 | 0
1.2.114 | | 7.78 | 15.52 | 36 | 0 | 0
1.2.115 | | 7.78 | 15.52 | 36 | 0 | 0
1.2.3 | | 7.56 | 14.41 | 35 | 1.47 | 0.62
1.2.5 | | 7.34 | 14.46 | 34 | 1.8 | 0.88
1.2.47 | | 7.34 | 13.03 | 34 | 0.6 | 0.16
1.2.55 | | 7.13 | 12.71 | 33 | 0.85 | 0.38
1.2.61 | | 7.13 | 12.05 | 33 | 0.6 | 0.22
1.2.69 | | 7.13 | 14.87 | 33 | 0.6 | 0.05
1.2.37 | | 6.48 | 11.65 | 30 | 0.6 | 0.2
1.2.113 | | 6.48 | 12.75 | 30 | 0.6 | 0.12
1.2.24 | | 6.26 | 11.56 | 29 | 0.6 | 0.19
1.2.7 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.14 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.17 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.28 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.29 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.33 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.43 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.46 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.51 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.71 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.84 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.86 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.88 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.95 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.97 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.116 | | 5.83 | 12.3 | 27 | 0 | 0
1.2.42 | | 5.62 | 11.73 | 26 | 1.8 | 0.88
1.2.77 | | 5.18 | 10.51 | 24 | 0.6 | 0.08
> view #1.2.53 @< 3.5
> zoom 0.75
moved plane near -34.0078564350414 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -34.0078564350414 [ 0.11252654 -0.05074317 0.99235221]
> surface #1.2.1-119 probeRadius 1.2 transparency 50
> ~surface #1.2
> surface #1.2.53 probeRadius 1.2
> select #1.2.53
6725 atoms, 1 residue, 1 model selected
> kvfinder gridSpacing 0.8 probeIn 1.2 probeOut 5.5
105 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.32 | | 1482.75 | 1191.35 | 2896 | 7.96 | 1.73
1.2.46 | | 1480.7 | 992.57 | 2892 | 0 | 0
1.2.9 | | 1402.37 | 1084.63 | 2739 | 7.07 | 1.6
1.2.56 | | 1333.25 | 1065.59 | 2604 | 7.55 | 1.68
1.2.67 | | 904.7 | 560.43 | 1767 | 9.6 | 2.27
1.2.23 | | 869.38 | 584.26 | 1698 | 9.6 | 2.22
1.2.35 | | 826.37 | 547.66 | 1614 | 10.4 | 2.3
1.2.54 | | 284.16 | 197.04 | 555 | 3.3 | 0.7
1.2.75 | | 282.62 | 200.95 | 552 | 3.3 | 0.82
1.2.15 | | 270.85 | 187.44 | 529 | 2.99 | 0.67
1.2.17 | | 224.26 | 261.35 | 438 | 0 | 0
1.2.49 | | 202.24 | 165.99 | 395 | 2.77 | 1
1.2.8 | | 137.73 | 179.02 | 269 | 0 | 0
1.2.62 | | 136.7 | 141.34 | 267 | 0 | 0
1.2.69 | | 128.51 | 150.88 | 251 | 0 | 0
1.2.74 | | 127.49 | 142.35 | 249 | 0 | 0
1.2.83 | | 125.44 | 131.31 | 245 | 0 | 0
1.2.84 | | 122.37 | 162.55 | 239 | 6.5 | 2.46
1.2.99 | | 111.62 | 103.14 | 218 | 3.75 | 1.2
1.2.36 | | 102.4 | 126.99 | 200 | 4.08 | 1.19
1.2.12 | | 100.35 | 93.03 | 196 | 3.67 | 1.19
1.2.47 | | 95.74 | 99.25 | 187 | 3.67 | 0.96
1.2.52 | | 86.02 | 121.15 | 168 | 0 | 0
1.2.31 | | 85.5 | 106.14 | 167 | 2.65 | 1.05
1.2.76 | | 65.54 | 85.2 | 128 | 5.12 | 1.76
1.2.30 | | 61.95 | 80.86 | 121 | 4 | 0.78
1.2.89 | | 60.93 | 80.18 | 119 | 0 | 0
1.2.80 | | 59.9 | 93.82 | 117 | 5.12 | 1.91
1.2.21 | | 45.57 | 68.06 | 89 | 1.13 | 0.18
1.2.2 | | 45.06 | 72.49 | 88 | 4.08 | 1.37
1.2.51 | | 45.06 | 55.03 | 88 | 1.39 | 0.35
1.2.20 | | 44.54 | 48.97 | 87 | 2.26 | 0.5
1.2.73 | | 43.52 | 67.76 | 85 | 0 | 0
1.2.27 | | 37.89 | 57.45 | 74 | 0 | 0
1.2.60 | | 35.33 | 54.21 | 69 | 0 | 0
1.2.7 | | 33.79 | 49.17 | 66 | 0 | 0
1.2.42 | | 33.28 | 51.17 | 65 | 0 | 0
1.2.45 | | 33.28 | 56 | 65 | 0 | 0
1.2.103 | | 33.28 | 44.53 | 65 | 1.79 | 0.43
1.2.28 | | 32.77 | 54.5 | 64 | 0 | 0
1.2.70 | | 31.23 | 47.94 | 61 | 1.6 | 0.39
1.2.72 | | 30.21 | 45.98 | 59 | 1.6 | 0.39
1.2.87 | | 30.21 | 33.5 | 59 | 1.6 | 0.37
1.2.104 | | 30.21 | 47.91 | 59 | 0 | 0
1.2.48 | | 29.18 | 51.75 | 57 | 0 | 0
1.2.14 | | 28.67 | 41.42 | 56 | 1.6 | 0.39
1.2.82 | | 28.16 | 43.91 | 55 | 3.49 | 1.7
1.2.10 | | 27.65 | 47.81 | 54 | 0 | 0
1.2.37 | | 27.14 | 46.63 | 53 | 3.58 | 1.17
1.2.16 | | 26.62 | 42.83 | 52 | 3.39 | 1.26
1.2.41 | | 26.62 | 37.98 | 52 | 1.6 | 0.42
1.2.53 | | 25.09 | 31.86 | 49 | 1.13 | 0.35
1.2.91 | | 24.58 | 40.25 | 48 | 0.8 | 0.08
1.2.92 | | 24.58 | 36.56 | 48 | 1.79 | 0.43
1.2.65 | | 23.55 | 41.54 | 46 | 3.49 | 1.92
1.2.90 | | 23.55 | 37.36 | 46 | 0 | 0
1.2.6 | | 22.02 | 29.22 | 43 | 0.8 | 0.26
1.2.58 | | 20.99 | 41.3 | 41 | 0 | 0
1.2.97 | | 19.46 | 42.8 | 38 | 0 | 0
1.2.57 | | 17.41 | 31.94 | 34 | 0.8 | 0.19
1.2.66 | | 16.38 | 37.59 | 32 | 0 | 0
1.2.105 | | 16.38 | 30.33 | 32 | 0.8 | 0.12
1.2.3 | | 15.36 | 25.11 | 30 | 1.6 | 0.64
1.2.63 | | 15.36 | 32.54 | 30 | 0 | 0
1.2.95 | | 15.36 | 32.54 | 30 | 0 | 0
1.2.13 | | 14.34 | 27.51 | 28 | 0 | 0
1.2.55 | | 14.34 | 27.51 | 28 | 0 | 0
1.2.11 | | 13.31 | 21.48 | 26 | 1.39 | 0.54
1.2.50 | | 13.31 | 21.49 | 26 | 1.39 | 0.39
1.2.102 | | 13.31 | 31.52 | 26 | 3.39 | 1.76
1.2.100 | | 12.8 | 20.65 | 25 | 0.8 | 0.16
1.2.29 | | 12.29 | 17.9 | 24 | 0 | 0
1.2.64 | | 11.78 | 18.64 | 23 | 1.39 | 0.54
1.2.5 | | 11.26 | 20.6 | 22 | 0.8 | 0.18
1.2.1 | | 10.75 | 17.06 | 21 | 0.8 | 0.19
1.2.33 | | 10.75 | 16.52 | 21 | 0.8 | 0.27
1.2.4 | | 10.24 | 18.57 | 20 | 0 | 0
1.2.25 | | 10.24 | 17.92 | 20 | 0.8 | 0.04
1.2.18 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.19 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.22 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.24 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.26 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.34 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.39 | | 9.73 | 16.04 | 19 | 0.8 | 0.08
1.2.43 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.59 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.68 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.71 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.79 | | 9.73 | 16.33 | 19 | 0.8 | 0.21
1.2.81 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.88 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.101 | | 9.73 | 23.91 | 19 | 0 | 0
1.2.38 | | 8.19 | 14.91 | 16 | 0 | 0
1.2.78 | | 8.19 | 13.26 | 16 | 0.8 | 0.2
1.2.86 | | 8.19 | 13.77 | 16 | 0 | 0
1.2.96 | | 7.68 | 15.82 | 15 | 0.8 | 0.43
1.2.61 | | 7.17 | 12.54 | 14 | 0 | 0
1.2.77 | | 6.14 | 11.47 | 12 | 0.8 | 0.07
1.2.85 | | 5.63 | 9.78 | 11 | 0.8 | 0.15
1.2.40 | | 5.12 | 9.16 | 10 | 0 | 0
1.2.44 | | 5.12 | 10.46 | 10 | 0.8 | 0.16
1.2.93 | | 5.12 | 8.76 | 10 | 0 | 0
1.2.94 | | 5.12 | 10.21 | 10 | 0 | 0
1.2.98 | | 5.12 | 7.45 | 10 | 0 | 0
> view #1.2.46 @< 3.5
> zoom 0.75
moved plane near -32.39149791328405 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -32.39149791328405 [ 0.11252654 -0.05074317 0.99235221]
> surface #1.2.1-105 probeRadius 1.2 transparency 50
> ~surface #1.2
> surface #1.2.46 probeRadius 1.2
> select #1.2.46
2892 atoms, 1 residue, 1 model selected
> kvfinder gridSpacing 0.8 probeIn 1.2 probeOut 5.5 volumeCutoff 900
5 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.2 | | 1482.75 | 1191.35 | 2896 | 7.96 | 1.73
1.2.3 | | 1480.7 | 992.57 | 2892 | 0 | 0
1.2.1 | | 1402.37 | 1084.63 | 2739 | 7.07 | 1.6
1.2.4 | | 1333.25 | 1065.59 | 2604 | 7.55 | 1.68
1.2.5 | | 904.7 | 560.43 | 1767 | 9.6 | 2.27
> view #1.2.3 @< 3.5
> zoom 0.75
moved plane near -32.39149791328405 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -32.39149791328405 [ 0.11252654 -0.05074317 0.99235221]
> surface #1.2.1-5 probeRadius 1.2 transparency 50
> ~surface #1.2
> surface #1.2.3 probeRadius 1.2
> select #1.2.3
2892 atoms, 1 residue, 1 model selected
> kvfinder gridSpacing 0.8 probeIn 1.2 probeOut 5.4 volumeCutoff 900
4 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.3 | | 1565.7 | 1112.59 | 3058 | 0 | 0
1.2.2 | | 1387.52 | 1082.76 | 2710 | 7.96 | 1.77
1.2.4 | | 1288.7 | 1025.31 | 2517 | 7.63 | 1.68
1.2.1 | | 1260.54 | 986.31 | 2462 | 7.07 | 1.64
> view #1.2.3 @< 3.5
> zoom 0.75
moved plane near -34.221898520410825 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -34.221898520410825 [ 0.11252654 -0.05074317 0.99235221]
> surface #1.2.1-4 probeRadius 1.2 transparency 50
> ~surface #1.2
> surface #1.2.3 probeRadius 1.2
> select #1.2.3
3058 atoms, 1 residue, 1 model selected
> kvfinder gridSpacing 0.8 probeIn 1.2 probeOut 5.6 volumeCutoff 900
6 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.2 | | 1545.22 | 1218.6 | 3018 | 7.92 | 1.72
1.2.1 | | 1498.62 | 1139.68 | 2927 | 7.71 | 1.67
1.2.4 | | 1492.48 | 1015.74 | 2915 | 0 | 0
1.2.5 | | 1458.18 | 1156.63 | 2848 | 7.71 | 1.64
1.2.3 | | 927.23 | 583.74 | 1811 | 9.6 | 2.42
1.2.6 | | 920.58 | 572.46 | 1798 | 9.6 | 2.23
> view #1.2.4 @< 3.5
> zoom 0.75
moved plane near -30.619789271527594 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -30.619789271527594 [ 0.11252654 -0.05074317 0.99235221]
> surface #1.2.1-6 probeRadius 1.2 transparency 50
> ~surface #1.2
> surface #1.2.4 probeRadius 1.2
> select #1.2.4
2915 atoms, 1 residue, 1 model selected
> kvfinder gridSpacing 0.8 probeIn 1.2 probeOut 5.6 volumeCutoff 900
6 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.2 | | 1545.22 | 1218.6 | 3018 | 7.92 | 1.72
1.2.1 | | 1498.62 | 1139.68 | 2927 | 7.71 | 1.67
1.2.4 | | 1492.48 | 1015.74 | 2915 | 0 | 0
1.2.5 | | 1458.18 | 1156.63 | 2848 | 7.71 | 1.64
1.2.3 | | 927.23 | 583.74 | 1811 | 9.6 | 2.42
1.2.6 | | 920.58 | 572.46 | 1798 | 9.6 | 2.23
> view #1.2.1 @< 3.5
> zoom 0.75
moved plane near -46.651350154162884 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -46.651350154162884 [ 0.11252654 -0.05074317 0.99235221]
> surface #1.2.1-6 probeRadius 1.2 transparency 50
> ~surface #1.2
> surface #1.2.1 probeRadius 1.2
> select #1.2.1
2927 atoms, 1 residue, 1 model selected
> view #!1.2.2 @< 3.5
> zoom 0.75
moved plane near -46.99354999206374 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -46.99354999206374 [ 0.11252654 -0.05074317 0.99235221]
> ~surface #1.2
> surface #!1.2.2 probeRadius 1.2
> select #!1.2.2
3018 atoms, 1 residue, 1 model selected
> view #!1.2.4 @< 3.5
> zoom 0.75
moved plane near -30.619789271527594 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -30.619789271527594 [ 0.11252654 -0.05074317 0.99235221]
> ~surface #1.2
> surface #!1.2.4 probeRadius 1.2
> select #!1.2.4
2915 atoms, 1 residue, 1 model selected
> kvfinder gridSpacing 0.8 probeIn 1.2 probeOut 5.3 volumeCutoff 900
5 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.3 | | 1472 | 957.8 | 2875 | 0 | 0
1.2.2 | | 1357.82 | 1074.91 | 2652 | 7.96 | 1.74
1.2.1 | | 1310.72 | 1054.59 | 2560 | 7.02 | 1.65
1.2.4 | | 1305.6 | 1063.38 | 2550 | 7.59 | 1.71
1.2.5 | | 927.74 | 631.71 | 1812 | 8.65 | 2.09
> view #1.2.3 @< 3.5
> zoom 0.75
moved plane near -30.3815091799255 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -30.3815091799255 [ 0.11252654 -0.05074317 0.99235221]
> surface #1.2.1-5 probeRadius 1.2 transparency 50
> ~surface #1.2
> surface #1.2.3 probeRadius 1.2
> select #1.2.3
2875 atoms, 1 residue, 1 model selected
> kvfinder gridSpacing 0.8 probeIn 1.2 probeOut 5.2 volumeCutoff 900
4 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.3 | | 1474.05 | 974 | 2879 | 0 | 0
1.2.2 | | 1281.02 | 1010.48 | 2502 | 7.96 | 1.72
1.2.1 | | 1243.14 | 1004.12 | 2428 | 6.97 | 1.62
1.2.4 | | 1183.74 | 947.83 | 2312 | 7.59 | 1.66
> view #1.2.3 @< 3.5
> zoom 0.75
moved plane near -31.01868138775968 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -31.01868138775968 [ 0.11252654 -0.05074317 0.99235221]
> surface #1.2.1-4 probeRadius 1.2 transparency 50
> ~surface #1.2
> surface #1.2.3 probeRadius 1.2
> select #1.2.3
2879 atoms, 1 residue, 1 model selected
> kvfinder gridSpacing 0.8 probeIn 1.2 probeOut 5 volumeCutoff 900
4 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.3 | | 1541.12 | 1046.49 | 3010 | 0 | 0
1.2.2 | | 1272.83 | 987.49 | 2486 | 7.71 | 1.68
1.2.1 | | 1171.97 | 950.57 | 2289 | 6.88 | 1.58
1.2.4 | | 1166.85 | 918.55 | 2279 | 7.2 | 1.61
> view #1.2.3 @< 3.5
> zoom 0.75
moved plane near -33.50697070131426 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -33.50697070131426 [ 0.11252654 -0.05074317 0.99235221]
> surface #1.2.1-4 probeRadius 1.2 transparency 50
> ~surface #1.2
> surface #1.2.3 probeRadius 1.2
> select #1.2.3
3010 atoms, 1 residue, 1 model selected
> kvfinder gridSpacing 0.8 probeIn 1.3 probeOut 5 volumeCutoff 900
3 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.2 | | 1277.44 | 787.49 | 2495 | 0 | 0
1.2.1 | | 1125.38 | 907.04 | 2198 | 7.71 | 1.65
1.2.3 | | 1029.12 | 851.68 | 2010 | 5.99 | 1.48
> view #1.2.2 @< 3.5
> zoom 0.75
moved plane near -25.94895592629877 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -25.94895592629877 [ 0.11252654 -0.05074317 0.99235221]
> surface #1.2.1-3 probeRadius 1.3 transparency 50
> ~surface #1.2
> surface #1.2.2 probeRadius 1.3
> select #1.2.2
2495 atoms, 1 residue, 1 model selected
> kvfinder gridSpacing 0.8 probeIn 1.3 probeOut 4.8 volumeCutoff 900
0 cavities found for 6x15 #1
> kvfinder gridSpacing 0.8 probeIn 1.3 probeOut 4.9 volumeCutoff 900
2 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.2 | | 1277.95 | 792.67 | 2496 | 0 | 0
1.2.1 | | 1039.87 | 848.06 | 2031 | 6.84 | 1.6
> view #1.2.2 @< 3.5
> zoom 0.75
moved plane near -26.20204210646268 [ 0.11252654 -0.05074317 0.99235221]
moved plane far -26.20204210646268 [ 0.11252654 -0.05074317 0.99235221]
> surface #1.2.1-2 probeRadius 1.3 transparency 50
> ~surface #1.2
> surface #1.2.2 probeRadius 1.3
> select #1.2.2
2496 atoms, 1 residue, 1 model selected
> view #!1.2.1 @< 3.5
> zoom 0.75
moved plane near -40.1437939466313 [-0.02399375 0.07662399 0.99677132]
moved plane far -40.1437939466313 [-0.02399375 0.07662399 0.99677132]
> ~surface #1.2
> surface #!1.2.1 probeRadius 1.3
> select #!1.2.1
2031 atoms, 1 residue, 1 model selected
> view #!1.2.2 @< 3.5
> zoom 0.75
moved plane near -26.37070356607748 [-0.02399375 0.07662399 0.99677132]
moved plane far -26.37070356607748 [-0.02399375 0.07662399 0.99677132]
> ~surface #1.2
> surface #!1.2.2 probeRadius 1.3
> select #!1.2.2
2496 atoms, 1 residue, 1 model selected
> kvfinder gridSpacing 0.8 probeIn 1.3 probeOut 4.9 volumeCutoff 900
2 cavities found for 6x15 #1
6x15 Cavities
---
ID | | Volume | Area | Points | Maximum
Depth | Average
Depth
1.2.2 | | 1277.95 | 792.67 | 2496 | 0 | 0
1.2.1 | | 1039.87 | 848.06 | 2031 | 6.84 | 1.6
> view #1.2.2 @< 3.5
> zoom 0.75
moved plane near -26.37070356607748 [-0.02399375 0.07662399 0.99677132]
moved plane far -26.37070356607748 [-0.02399375 0.07662399 0.99677132]
> surface #1.2.1-2 probeRadius 1.3 transparency 50
> ~surface #1.2
> surface #1.2.2 probeRadius 1.3
> select #1.2.2
2496 atoms, 1 residue, 1 model selected
> select #!1 & (#!1.2.2 @< 3.5)
186 atoms, 154 bonds, 38 residues, 1 model selected
> ~select #!1.2.2
186 atoms, 154 bonds, 38 residues, 1 model selected
> ~surface #1.2
> view #1
> view #!1.2.2 @< 3.5
> zoom 0.75
moved plane near -25.504779775329137 [0.03552242 0.01945198 0.99917955]
moved plane far -25.504779775329137 [0.03552242 0.01945198 0.99917955]
> show
> #!1/A,C:60,63,142-143,146-147,157,161,183,186-187,190/B:60,63-64,142-143,146-147,157,161,183,186-187,190
> hide
> #!1/A,C:60,63,142-143,146-147,157,161,183,186-187,190/B:60,63-64,142-143,146-147,157,161,183,186-187,190
> show
> #!1/A,C:60,63,142-143,146-147,157,161,183,186-187,190/B:60,63-64,142-143,146-147,157,161,183,186-187,190
> hide
> #!1/A,C:60,63,142-143,146-147,157,161,183,186-187,190/B:60,63-64,142-143,146-147,157,161,183,186-187,190
> ~select #!1 & (#!1.2.2 @< 3.5)
Nothing selected
> select #!1 & (#!1.2.2 @< 3.5)
186 atoms, 154 bonds, 38 residues, 1 model selected
> show sel atoms
> hide sel atoms
> ~select #!1 & (#!1.2.2 @< 3.5)
Nothing selected
> select #!1.2.2
2496 atoms, 1 residue, 1 model selected
> ~surface #1.2
> surface #!1.2.2 probeRadius 1.3
> color byattribute a:kvfinder_depth #!1.2.1
2031 atoms, 1 residues, 1 surfaces, atom kvfinder_depth range 0 to 6.84
> select subtract #1.2.2
1 model selected
> select add #1.2.1
2031 atoms, 1 residue, 1 model selected
> delete sel
> view #!1.2.2 @< 3.5
> zoom 0.75
moved plane near -25.504779775329137 [0.03552242 0.01945198 0.99917955]
moved plane far -25.504779775329137 [0.03552242 0.01945198 0.99917955]
> ~surface #1.2
> surface #!1.2.2 probeRadius 1.3
> select #!1.2.2
2496 atoms, 1 residue, 1 model selected
> save
> /Users/morgandooley/Documents/GltPh_Oligomerization/GltPh_structure_file.cxs
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 322, in process
data = sm.take_snapshot(obj, session, self.state_flags)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/atomic/structure.py", line 226, in take_snapshot
data = {'model state': Model.take_snapshot(self, session, flags),
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/models.py", line 373, in take_snapshot
'positions': self.positions.array(),
^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'array'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 297, in discovery
self.processed[key] = self.process(obj, parents)
^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 329, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
[<chimerax.model_panel.tool.ModelPanel object at 0x32e07fa90>,
<chimerax.kvfinder.tool.KVFinderResultsDialog object at 0x350cb9d90>,
<chimerax.cmd_line.tool.CommandLine object at 0x32e023150>,
<chimerax.log.tool.Log object at 0x32e07c950>,
<chimerax.toolbar.tool.ToolbarTool object at 0x32e035190>] ->
<chimerax.kvfinder.tool.KVFinderResultsDialog object at 0x350cb9d90> ->
<chimerax.atomic.structure.Structure object at 0x35126fc90> 'cavity 1'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 1058, in save
session.save(output, version=version, include_maps=include_maps)
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 741, in save
mgr.discovery(self._state_containers)
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 301, in discovery
raise ValueError(
ValueError: error processing: 'tools' ->
[<chimerax.model_panel.tool.ModelPanel object at 0x32e07fa90>,
<chimerax.kvfinder.tool.KVFinderResultsDialog object at 0x350cb9d90>,
<chimerax.cmd_line.tool.CommandLine object at 0x32e023150>,
<chimerax.log.tool.Log object at 0x32e07c950>,
<chimerax.toolbar.tool.ToolbarTool object at 0x32e035190>] ->
<chimerax.kvfinder.tool.KVFinderResultsDialog object at 0x350cb9d90> ->
<chimerax.atomic.structure.Structure object at 0x35126fc90> 'cavity 1': Error
while saving session data for 'tools' ->
[<chimerax.model_panel.tool.ModelPanel object at 0x32e07fa90>,
<chimerax.kvfinder.tool.KVFinderResultsDialog object at 0x350cb9d90>,
<chimerax.cmd_line.tool.CommandLine object at 0x32e023150>,
<chimerax.log.tool.Log object at 0x32e07c950>,
<chimerax.toolbar.tool.ToolbarTool object at 0x32e035190>] ->
<chimerax.kvfinder.tool.KVFinderResultsDialog object at 0x350cb9d90> ->
<chimerax.atomic.structure.Structure object at 0x35126fc90> 'cavity 1'
ValueError: error processing: 'tools' -> [, , , , ] -> -> 'cavity 1': Error
while saving session data for 'tools' -> [, , , , ] -> -> 'cavity 1'
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 301, in discovery
raise ValueError(
See log for complete Python traceback.
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 322, in process
data = sm.take_snapshot(obj, session, self.state_flags)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/atomic/structure.py", line 226, in take_snapshot
data = {'model state': Model.take_snapshot(self, session, flags),
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/models.py", line 373, in take_snapshot
'positions': self.positions.array(),
^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'array'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 297, in discovery
self.processed[key] = self.process(obj, parents)
^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 329, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
[<chimerax.model_panel.tool.ModelPanel object at 0x32e07fa90>,
<chimerax.kvfinder.tool.KVFinderResultsDialog object at 0x350cb9d90>,
<chimerax.cmd_line.tool.CommandLine object at 0x32e023150>,
<chimerax.log.tool.Log object at 0x32e07c950>,
<chimerax.toolbar.tool.ToolbarTool object at 0x32e035190>] ->
<chimerax.kvfinder.tool.KVFinderResultsDialog object at 0x350cb9d90> ->
<chimerax.atomic.structure.Structure object at 0x35126fc90> 'cavity 1'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/save_command/dialog.py", line 127, in <lambda>
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",
^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/save_command/dialog.py", line 138, in show_save_file_dialog
_dlg.display(session, **kw)
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/save_command/dialog.py", line 62, in display
run(session, cmd)
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/run.py", line 49, in run
results = command.run(text, log=log, return_json=return_json)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 3221, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/save_command/cmd.py", line 86, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 3221, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/save_command/cmd.py", line 101, in provider_save
saver_info.save(session, path, **provider_kw)
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core_formats/__init__.py", line 95, in save
return cxs_save(session, path, **kw)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 1058, in save
session.save(output, version=version, include_maps=include_maps)
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 741, in save
mgr.discovery(self._state_containers)
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 301, in discovery
raise ValueError(
ValueError: error processing: 'tools' ->
[<chimerax.model_panel.tool.ModelPanel object at 0x32e07fa90>,
<chimerax.kvfinder.tool.KVFinderResultsDialog object at 0x350cb9d90>,
<chimerax.cmd_line.tool.CommandLine object at 0x32e023150>,
<chimerax.log.tool.Log object at 0x32e07c950>,
<chimerax.toolbar.tool.ToolbarTool object at 0x32e035190>] ->
<chimerax.kvfinder.tool.KVFinderResultsDialog object at 0x350cb9d90> ->
<chimerax.atomic.structure.Structure object at 0x35126fc90> 'cavity 1': Error
while saving session data for 'tools' ->
[<chimerax.model_panel.tool.ModelPanel object at 0x32e07fa90>,
<chimerax.kvfinder.tool.KVFinderResultsDialog object at 0x350cb9d90>,
<chimerax.cmd_line.tool.CommandLine object at 0x32e023150>,
<chimerax.log.tool.Log object at 0x32e07c950>,
<chimerax.toolbar.tool.ToolbarTool object at 0x32e035190>] ->
<chimerax.kvfinder.tool.KVFinderResultsDialog object at 0x350cb9d90> ->
<chimerax.atomic.structure.Structure object at 0x35126fc90> 'cavity 1'
ValueError: error processing: 'tools' -> [, , , , ] -> -> 'cavity 1': Error
while saving session data for 'tools' -> [, , , , ] -> -> 'cavity 1'
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/session.py", line 301, in discovery
raise ValueError(
See log for complete Python traceback.
Failed to send bug report. Error while sending follows:
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/bug_reporter/tool.py", line 253, in submit
errcode, errmsg, headers, body = post_multipart_formdata(BUG_HOST,
BUG_SELECTOR, fields, timeout=10)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/webservices/post_form.py", line 45, in
post_multipart_formdata
return r.status, r.msg, r.getheaders(), r.read()
^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/http/client.py",
line 482, in read
s = self._safe_read(self.length)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/http/client.py",
line 633, in _safe_read
raise IncompleteRead(data, amt-len(data))
http.client.IncompleteRead: IncompleteRead(666 bytes read, 6446 more expected)
OpenGL version: 4.1 Metal - 89.4
OpenGL renderer: Apple M4 Pro
OpenGL vendor: Apple
Python: 3.11.4
Locale: en_US.UTF-8
Qt version: PyQt6 6.8.1, Qt 6.8.2
Qt runtime version: 6.8.2
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: MacBook Pro
Model Identifier: Mac16,7
Model Number: MX2Y3LL/A
Chip: Apple M4 Pro
Total Number of Cores: 14 (10 performance and 4 efficiency)
Memory: 48 GB
System Firmware Version: 13822.61.10
OS Loader Version: 11881.140.96
Software:
System Software Overview:
System Version: macOS 15.7.3 (24G419)
Kernel Version: Darwin 24.6.0
Time since boot: 54 days, 6 minutes
Graphics/Displays:
Apple M4 Pro:
Chipset Model: Apple M4 Pro
Type: GPU
Bus: Built-In
Total Number of Cores: 20
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
Color LCD:
Display Type: Built-in Liquid Retina XDR Display
Resolution: 3456 x 2234 Retina
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: Yes
Connection Type: Internal
Installed Packages:
alabaster: 1.0.0
appdirs: 1.4.4
appnope: 0.1.4
asttokens: 3.0.0
babel: 2.17.0
beautifulsoup4: 4.13.3
blockdiag: 3.0.0
blosc2: 3.6.1
build: 1.2.2.post1
certifi: 2023.11.17
cftime: 1.6.4.post1
charset-normalizer: 3.4.2
ChimeraX-AddCharge: 1.5.19
ChimeraX-AddH: 2.2.7
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.20.2
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Aniso: 1.1.4
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.60.7
ChimeraX-AtomicLibrary: 14.1.19
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: 1.0
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.2
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.5.1
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
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.10.1
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: 2.5.1
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.3
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.6.2
ChimeraX-Label: 1.1.14
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
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-MDcrds: 2.10.1
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.19
ChimeraX-ModelPanel: 1.5.1
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
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: 1.14.1
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.10
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.4
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.3
ChimeraX-ProfileGrids: 1.1.3
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.6.3
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.3
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.7
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.17.1
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: 1.45.2
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.1
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.4.4
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
colorama: 0.4.6
comm: 0.2.2
contourpy: 1.3.2
coverage: 7.10.0
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.0.12
debugpy: 1.8.15
decorator: 5.2.1
docutils: 0.21.2
executing: 2.2.0
filelock: 3.18.0
fonttools: 4.59.0
funcparserlib: 2.0.0a0
glfw: 2.9.0
grako: 3.16.5
h5py: 3.14.0
html2text: 2024.2.26
idna: 3.10
ihm: 2.2
imagecodecs: 2024.6.1
imagesize: 1.4.1
iniconfig: 2.1.0
ipykernel: 6.29.5
ipython: 8.26.0
ipywidgets: 8.1.7
jedi: 0.19.1
Jinja2: 3.1.6
jupyter_client: 8.6.3
jupyter_core: 5.8.1
jupyterlab_widgets: 3.0.15
kiwisolver: 1.4.8
line_profiler: 4.2.0
lxml: 5.3.1
lz4: 4.3.2
MarkupSafe: 3.0.2
matplotlib: 3.10.1
matplotlib-inline: 0.1.7
msgpack: 1.1.0
narwhals: 2.22.1
ndindex: 1.10.0
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.11.0
numpy: 2.4.6
numpy: 1.26.4
OpenMM: 8.2.0
openvr: 1.26.701
packaging: 24.2
ParmEd: 4.2.2
parso: 0.8.4
pep517: 0.13.1
pexpect: 4.9.0
pickleshare: 0.7.5
pillow: 10.4.0
pip: 25.0.1
pkginfo: 1.11.1
platformdirs: 4.3.8
plotly: 6.7.0
pluggy: 1.6.0
prompt_toolkit: 3.0.51
psutil: 7.0.0
ptyprocess: 0.7.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pycollada: 0.8
pydicom: 2.4.4
Pygments: 2.18.0
pyKVFinder: 0.9.2
pynmrstar: 3.3.5
pynrrd: 1.0.0
PyOpenGL: 3.1.9
PyOpenGL-accelerate: 3.1.9
pyopenxr: 1.1.4501
pyparsing: 3.2.3
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.8.1
PyQt6-Qt6: 6.8.2
PyQt6-WebEngine-commercial: 6.8.0
PyQt6-WebEngine-Qt6: 6.8.2
PyQt6_sip: 13.10.0
pytest: 8.4.1
pytest-cov: 6.2.1
python-dateutil: 2.9.0.post0
pytz: 2025.2
pyzmq: 27.0.0
qtconsole: 5.5.2
QtPy: 2.4.3
qtshim: 1.1
RandomWords: 0.4.0
requests: 2.32.3
roman-numerals-py: 3.1.0
scipy: 1.14.0
setuptools: 78.1.0
sfftk-rw: 0.8.1
six: 1.16.0
snowballstemmer: 3.0.1
sortedcontainers: 2.4.0
soupsieve: 2.7
Sphinx: 8.2.3
sphinx-autodoc-typehints: 3.1.0
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
stack-data: 0.6.3
superqt: 0.7.1
tables: 3.10.2
tcia_utils: 1.5.1
tifffile: 2025.3.13
tinyarray: 1.2.4
tomlkit: 0.15.0
tornado: 6.5.1
traitlets: 5.14.3
typing_extensions: 4.14.1
tzdata: 2025.2
urllib3: 2.5.0
wcwidth: 0.2.13
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
widgetsnbextension: 4.0.14
Change History (2)
comment:1 by , 113 minutes ago
| Component: | Unassigned → Surface/Binding Analysis |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Find Cavities not disposing of deleted structures |
comment:2 by , 113 minutes ago
| Resolution: | → duplicate |
|---|---|
| Status: | accepted → closed |
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Hi Morgan,
--Eric