#20533 closed defect (duplicate)

Find Cavities not disposing of deleted structures

Reported by: mdooley302@… 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 Eric Pettersen, 113 minutes ago

Component: UnassignedSurface/Binding Analysis
Owner: set to Eric Pettersen
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionFind Cavities not disposing of deleted structures

comment:2 by Eric Pettersen, 113 minutes ago

Resolution: duplicate
Status: acceptedclosed

Hi Morgan,

Thanks for reporting this problem. It has been fixed in later releases of ChimeraX, so if you update your version then it will not happen to you again.

--Eric

Eric Pettersen
UCSF Computer Graphics Lab

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