Opened 2 years ago

Closed 2 years ago

#10005 closed defect (duplicate)

Render by attribute: TypeError: object of type 'function' has no len()

Reported by: zehr.elena@… Owned by: pett
Priority: normal Milestone:
Component: Depiction Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        macOS-13.5.2-arm64-arm-64bit
ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC)
Description
(Describe the actions that caused this problem to occur here)

Log:
UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/E-side_linkage/a-b-
> E-site_lateral.cxs format session

Opened PF1.mrc as #1.1, grid size 568,568,568, pixel 1.06, shown at level
0.128, step 1, values float32  
Opened PF2.mrc as #1.2, grid size 568,568,568, pixel 1.06, shown at level
0.194, step 1, values float32  
Log from Tue Oct 17 11:39:56 2023UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/E-side_linkage/a-b-
> E-site_lateral.cxs format session

Opened PF1.mrc as #1.1, grid size 568,568,568, pixel 1.06, shown at level
0.128, step 1, values float32  
Opened PF2.mrc as #1.2, grid size 568,568,568, pixel 1.06, shown at level
0.194, step 1, values float32  
Log from Tue Oct 17 11:36:42 2023UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Nucleotide_sensing/Mloop_Nucleotide_sensing.cxs
> format session

Opened PF1.mrc as #1.1, grid size 568,568,568, pixel 1.06, shown at level
0.128, step 1, values float32  
Opened PF2.mrc as #1.2, grid size 568,568,568, pixel 1.06, shown at level
0.194, step 1, values float32  
Log from Tue Oct 3 17:12:51 2023UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Nucleotide_sensing/Mloop_Nucleotide_sensing.cxs
> format session

Opened PF1.mrc as #1.1, grid size 568,568,568, pixel 1.06, shown at level
0.128, step 1, values float32  
Opened PF2.mrc as #1.2, grid size 568,568,568, pixel 1.06, shown at level
0.194, step 1, values float32  
Log from Tue Oct 3 17:01:46 2023UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Nucleotide_sensing/Mloop_Nucleotide_sensing.cxs

Opened PF1.mrc as #1.1, grid size 568,568,568, pixel 1.06, shown at level
0.128, step 1, values float32  
Opened PF2.mrc as #1.2, grid size 568,568,568, pixel 1.06, shown at level
0.194, step 1, values float32  
Log from Mon Oct 2 14:31:26 2023UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/lateral_interface_obBeta.cxs
> format session

Opened PF1.mrc as #1.1, grid size 568,568,568, pixel 1.06, shown at level
0.128, step 1, values float32  
Opened PF2.mrc as #1.2, grid size 568,568,568, pixel 1.06, shown at level
0.0439, step 1, values float32  
Log from Mon Oct 2 13:45:49 2023UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/lateral_interface.cxs
> format session

Log from Mon Oct 2 12:53:18 2023UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_interface/lateral_Interface_substitutions_TSA_bII_bIII.cxs

Opened TSA_GMPCPP_PF1-3.mrc as #1, grid size 568,568,568, pixel 1.06, shown at
level 0.00759, step 1, values float32  
Log from Thu May 25 06:47:12 2023UCSF ChimeraX version: 1.5rc202210140205
(2022-10-14)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/Tyr271_Lys58.cxs format
> session

Opened TSA_GMPCPP_PF1-3.mrc as #1, grid size 568,568,568, pixel 1.06, shown at
level 0.00759, step 1, values float32  
Log from Wed May 24 14:59:33 2023UCSF ChimeraX version: 1.5rc202210140205
(2022-10-14)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/Tyr271_Lys58.cxs format
> session

Opened TSA_GMPCPP_PF1-3.mrc as #1, grid size 568,568,568, pixel 1.06, shown at
level 0.00759, step 1, values float32  
Log from Wed May 24 14:53:47 2023UCSF ChimeraX version: 1.5rc202210140205
(2022-10-14)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_3PF.cxs
> format session

Opened TSA_GMPCPP_PF1-3.mrc as #1, grid size 568,568,568, pixel 1.06, shown at
level 0.00531, step 1, values float32  
Log from Wed May 24 09:54:31 2023UCSF ChimeraX version: 1.5rc202210140205
(2022-10-14)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/PanelB.cxs format
> session

Opened TSA_GMPCPP_PF1.mrc as #1, grid size 568,568,568, pixel 1.06, shown at
level 0.0063, step 1, values float32  
Opened TSA_GMPCPP_PF2.mrc as #2, grid size 568,568,568, pixel 1.06, shown at
level 0.00693, step 1, values float32  
Log from Tue May 23 15:07:19 2023UCSF ChimeraX version: 1.5rc202210140205
(2022-10-14)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_vs_6DPU_Brain_GMPCPP_lateral.cxs
> format session

Opened TSA_GMPCPP_PF1.mrc as #1, grid size 77,79,347, pixel 1.06,1.06,1.06,
shown at level 0.00669, step 1, values float32  
Opened TSA_GMPCPP_PF2.mrc as #2, grid size 568,568,568, pixel 1.06, shown at
level 0.00568, step 1, values float32  
Log from Tue May 23 14:25:49 2023UCSF ChimeraX version: 1.5rc202210140205
(2022-10-14)  
© 2016-2022 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_PF1.mrc

Opened TSA_GMPCPP_PF1.mrc as #1, grid size 77,79,347, pixel 1.06,1.06,1.06,
shown at level 0.0139, step 1, values float32  

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_PF2.mrc

Opened TSA_GMPCPP_PF2.mrc as #2, grid size 568,568,568, pixel 1.06, shown at
level 1.45e-06, step 4, values float32  

> volume #2 level 0.005683

> volume #2 step 1

> volume #2 color #919191

> volume #2 color #929292

> volume #2 color darkgrey

> volume #1 level 0.006689

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_MT_GMPCPP_lateral.pdb

Chain information for TSA_MT_GMPCPP_lateral.pdb #3  
---  
Chain | Description  
A C | No description available  
B D | No description available  
E I | No description available  
F Q | No description available  
  

> show cartoons

> hide atoms

> hide #!2 models

> show #!2 models

> hide #!1 models

> hide #!2 models

> show #!2 models

> show #!1 models

> select add #3

27454 atoms, 28070 bonds, 4 pseudobonds, 3494 residues, 2 models selected  

> ui mousemode right "move picked models"

> view matrix models #2,1,0,0,-0.19729,0,1,0,0.056511,0,0,1,-3.0901

> undo

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> hide #!1 models

> show #!2 models

> show #!1 models

> ui mousemode right "translate selected models"

> ui mousemode right translate

> select subtract #3

Nothing selected  

> select add #3

27454 atoms, 28070 bonds, 4 pseudobonds, 3494 residues, 2 models selected  

> ui mousemode right "translate selected models"

> view matrix models #3,1,0,0,0.76103,0,1,0,-0.43294,0,0,1,-11.312

> ui tool show "Fit in Map"

> fitmap #3 inMap #1

Fit molecule TSA_MT_GMPCPP_lateral.pdb (#3) to map TSA_GMPCPP_PF1.mrc (#1)
using 27454 atoms  
average map value = 0.003732, steps = 108  
shifted from previous position = 5.8  
rotated from previous position = 1.62 degrees  
atoms outside contour = 23109, contour level = 0.0066889  
  
Position of TSA_MT_GMPCPP_lateral.pdb (#3) relative to TSA_GMPCPP_PF1.mrc (#1)
coordinates:  
Matrix rotation and translation  
0.99960521 -0.02655655 -0.00917509 10.01654679  
0.02658562 0.99964186 0.00306039 -7.64507912  
0.00909053 -0.00330311 0.99995322 -11.53764874  
Axis -0.11252318 -0.32298365 0.93969149  
Axis point 407.43165422 330.86973272 0.00000000  
Rotation angle (degrees) 1.62033397  
Shift along axis -9.49968841  
  

> fitmap #3 inMap #2

Fit molecule TSA_MT_GMPCPP_lateral.pdb (#3) to map TSA_GMPCPP_PF2.mrc (#2)
using 27454 atoms  
average map value = 0.00256, steps = 68  
shifted from previous position = 1.02  
rotated from previous position = 1.1 degrees  
atoms outside contour = 22335, contour level = 0.0056826  
  
Position of TSA_MT_GMPCPP_lateral.pdb (#3) relative to TSA_GMPCPP_PF2.mrc (#2)
coordinates:  
Matrix rotation and translation  
0.99901792 -0.04192552 -0.01433365 18.19464041  
0.04211364 0.99902714 0.01308481 -16.77500024  
0.01377111 -0.01367560 0.99981165 -10.02922102  
Axis -0.28909354 -0.30361662 0.90787768  
Axis point 473.46579213 358.94981175 0.00000000  
Rotation angle (degrees) 2.65278567  
Shift along axis -9.27209000  
  

> view matrix models
> #3,0.99902,-0.041926,-0.014334,17.849,0.042114,0.99903,0.013085,-18.525,0.013771,-0.013676,0.99981,11.637

> fitmap #3 inMap #2

Fit molecule TSA_MT_GMPCPP_lateral.pdb (#3) to map TSA_GMPCPP_PF2.mrc (#2)
using 27454 atoms  
average map value = 0.005045, steps = 132  
shifted from previous position = 11.9  
rotated from previous position = 2.22 degrees  
atoms outside contour = 16421, contour level = 0.0056826  
  
Position of TSA_MT_GMPCPP_lateral.pdb (#3) relative to TSA_GMPCPP_PF2.mrc (#2)
coordinates:  
Matrix rotation and translation  
0.99995379 -0.00957059 0.00090707 2.95136463  
0.00957188 0.99995317 -0.00142652 -2.82581641  
-0.00089338 0.00143513 0.99999857 0.56110777  
Axis 0.14721381 0.09262167 0.98475851  
Axis point 303.68598391 295.75564535 0.00000000  
Rotation angle (degrees) 0.55688778  
Shift along axis 0.72530546  
  

> view matrix models
> #3,0.99995,-0.0095706,0.00090707,1.2561,0.0095719,0.99995,-0.0014265,-3.8884,-0.00089338,0.0014351,1,42.971

> fitmap #3 inMap #2

Fit molecule TSA_MT_GMPCPP_lateral.pdb (#3) to map TSA_GMPCPP_PF2.mrc (#2)
using 27454 atoms  
average map value = 0.005021, steps = 68  
shifted from previous position = 1.97  
rotated from previous position = 0.145 degrees  
atoms outside contour = 15967, contour level = 0.0056826  
  
Position of TSA_MT_GMPCPP_lateral.pdb (#3) relative to TSA_GMPCPP_PF2.mrc (#2)
coordinates:  
Matrix rotation and translation  
0.99997457 -0.00708860 0.00077809 2.24313067  
0.00709008 0.99997303 -0.00191416 -2.01306388  
-0.00076450 0.00191962 0.99999787 42.59154694  
Axis 0.25958945 0.10445059 0.96005385  
Axis point 887.24374126 -1197.79179185 0.00000000  
Rotation angle (degrees) 0.42309368  
Shift along axis 41.26220587  
  

> volume #1 color #b2b2b280

> volume #2 level 0.005683

> volume #2 color #a9a9a980

> select clear

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/6dpu_lateral.pdb

Chain information for 6dpu_lateral.pdb #4  
---  
Chain | Description  
A C | No description available  
B D | No description available  
E I | No description available  
F Q | No description available  
  

> show cartoons

> hide atoms

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_vs_6DPU_Brain_GMPCPP_lateral.cxs

——— End of log from Tue May 23 14:25:49 2023 ———

opened ChimeraX session  

> hide #!3 models

> show #!3 models

> hide #!2 models

> hide #!1 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> hide #!3 models

> show #!4 models

> close #4

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/6dpu_lateral.pdb

Chain information for 6dpu_lateral.pdb #4  
---  
Chain | Description  
A C | No description available  
B D | No description available  
E I | No description available  
F Q | No description available  
  

> show #!4 cartoons

> hide #!4 atoms

> close #3

> close #4

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_MT_GMPCPP_lateral.pdb

Chain information for TSA_MT_GMPCPP_lateral.pdb #3  
---  
Chain | Description  
A C | No description available  
B D | No description available  
E I | No description available  
F Q | No description available  
  

> hide atoms

> show cartoons

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/6dpu_lateral.pdb

Summary of feedback from opening /Users/zehrea/Documents/Roll-
Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/6dpu_lateral.pdb  
---  
warnings | Cannot find LINK/SSBOND residue GTP (501 )  
Cannot find LINK/SSBOND residue GTP (501 )  
Cannot find LINK/SSBOND residue G2P (501 )  
Cannot find LINK/SSBOND residue G2P (501 )  
Cannot find LINK/SSBOND residue G2P (501 )  
3 messages similar to the above omitted  
  
6dpu_lateral.pdb title:  
Undecorated gmpcpp microtubule [more info...]  
  
Chain information for 6dpu_lateral.pdb #4  
---  
Chain | Description | UniProt  
A C K L | tubulin α-1B chain | TBA1B_PIG  
B D H I | β-tubulin | TBB_PIG  
  
Non-standard residues in 6dpu_lateral.pdb #4  
---  
G2P — phosphomethylphosphonic acid guanylate ester  
GTP — guanosine-5'-triphosphate  
MG — magnesium ion  
  

> hide cartoons

> show cartoons

> hide atoms

> select add #3

27454 atoms, 28070 bonds, 4 pseudobonds, 3494 residues, 2 models selected  

> select add #4

54554 atoms, 55786 bonds, 24 pseudobonds, 6938 residues, 5 models selected  

> view matrix models
> #3,1,0,0,2.4913,0,1,0,0.66877,0,0,1,35.386,#4,1,0,0,2.4913,0,1,0,0.66877,0,0,1,35.386

> view matrix models
> #3,1,0,0,2.3896,0,1,0,1.9598,0,0,1,42.175,#4,1,0,0,2.3896,0,1,0,1.9598,0,0,1,42.175

> ui tool show "Fit in Map"

> fitmap #3 inMap #2

Fit molecule TSA_MT_GMPCPP_lateral.pdb (#3) to map TSA_GMPCPP_PF2.mrc (#2)
using 27454 atoms  
average map value = 0.005021, steps = 92  
shifted from previous position = 3.03  
rotated from previous position = 0.423 degrees  
atoms outside contour = 15966, contour level = 0.0056826  
  
Position of TSA_MT_GMPCPP_lateral.pdb (#3) relative to TSA_GMPCPP_PF2.mrc (#2)
coordinates:  
Matrix rotation and translation  
0.99997468 -0.00707015 0.00080825 2.22868092  
0.00707173 0.99997307 -0.00195999 -1.99135203  
-0.00079438 0.00196566 0.99999775 42.58847191  
Axis 0.26589559 0.10855084 0.95787069  
Axis point 908.85498086 -1236.38547081 0.00000000  
Rotation angle (degrees) 0.42295759  
Shift along axis 41.17068227  
  

> fitmap #4 inMap #2

Fit molecule 6dpu_lateral.pdb (#4) to map TSA_GMPCPP_PF2.mrc (#2) using 27100
atoms  
average map value = 0.004991, steps = 92  
shifted from previous position = 2.48  
rotated from previous position = 0.501 degrees  
atoms outside contour = 15788, contour level = 0.0056826  
  
Position of 6dpu_lateral.pdb (#4) relative to TSA_GMPCPP_PF2.mrc (#2)
coordinates:  
Matrix rotation and translation  
0.99997525 -0.00077730 0.00699292 -1.34039794  
0.00074104 0.99998628 0.00518644 -1.06213630  
-0.00699686 -0.00518113 0.99996210 47.98063166  
Axis -0.59315404 0.80038877 0.08686836  
Axis point 6807.11424310 0.00000000 -133.09360188  
Rotation angle (degrees) 0.50073494  
Shift along axis 4.11293905  
  

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_vs_6DPU_Brain_GMPCPP_lateral.cxs

Drag select of 152 residues  

> select clear

> select add #4

27100 atoms, 27716 bonds, 20 pseudobonds, 3444 residues, 3 models selected  

> color (#!4 & sel) purple

> hide #!4 models

> select #3/B,D,Q,F

13658 atoms, 13962 bonds, 1736 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel dark sea green

> select ~sel

40896 atoms, 41824 bonds, 24 pseudobonds, 5202 residues, 9 models selected  

> show #!4 models

> hide #!3 models

> show #!3 models

> hide #!4 models

> select ~sel

13658 atoms, 13962 bonds, 1736 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel light blue

> select #3/C,A,E,I

13796 atoms, 14108 bonds, 4 pseudobonds, 1758 residues, 2 models selected  

> ui tool show "Color Actions"

> color sel dark sea green

> select clear

> show #!2 models

> show #!1 models

> show #!4 models

> hide #!4 models

> volume #1 color #b2b2b24d

> volume #2 color #a9a9a94d

> hide #3.1 models

> ui tool show "Side View"

> graphics silhouettes true

> select :G2P

256 atoms, 272 bonds, 8 residues, 2 models selected  

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/PanelA.cxs

> show sel & #!3 atoms

> color (#!3 & sel) byhetero

> select :Mg

16 atoms, 16 residues, 2 models selected  

> color (#!3 & sel) byhetero

> select :GTP

256 atoms, 272 bonds, 8 residues, 2 models selected  

> color (#!3 & sel) byhetero

> volume #1 level 0.007923

> volume #1 level 0.008442

> volume #1 level 0.006299

> volume #2 level 0.006931

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/PanelA.cxs

> cd /Users/zehrea/Documents/Roll-Mecak_lab/PAPERS/JMB_TSApaper/Figure1/

Expected name of a folder to open/read; a name of 'browse' will bring up a
file browser or a keyword  

> cd /Users/zehrea/Documents/Roll-Mecak_lab/PAPERS/JMB_TSApaper/Fig1/

Current working directory is: /Users/zehrea/Documents/Roll-
Mecak_lab/PAPERS/JMB_TSApaper/Fig1  

> save PanelA.tif supersample 4 transparentBackground true

[Repeated 1 time(s)]

> save PanelA.tif supersample 4 transparentBackground false

> select #3/C,A,E,I

13796 atoms, 14108 bonds, 4 pseudobonds, 1758 residues, 2 models selected  

> ui tool show "Color Actions"

> color sel medium aquamarine

> color sel medium sea green

> color sel sea green

> select #3/B,D,Q,F

13658 atoms, 13962 bonds, 1736 residues, 1 model selected  

> select #3/C,A,E,I

13796 atoms, 14108 bonds, 4 pseudobonds, 1758 residues, 2 models selected  

> color sel medium sea green

> color sel dark sea green

> graphics silhouettes false

> graphics silhouettes true

> select clear

> ui tool show "Hide Dust"

> surface dust #1 size 6.36

> surface dust #2 size 6.36

> select clear

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/PanelA.cxs

> save PanelA.tif supersample 4 transparentBackground false

> hide #!2 models

> hide #!1 models

> select :GTP

256 atoms, 272 bonds, 8 residues, 2 models selected  

> show sel & #!3 cartoons

> show sel & #!3 atoms

> color (#!3 & sel) byhetero

> select clear

> save PanelB.tif supersample 4 transparentBackground false

> cd /Users/zehrea/Documents/Roll-Mecak_lab/PAPERS/JMB_TSApaper/Fig1/

Current working directory is: /Users/zehrea/Documents/Roll-
Mecak_lab/PAPERS/JMB_TSApaper/Fig1  

> save PanelB.tif supersample 4 transparentBackground false

[Repeated 1 time(s)]

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/PanelB.cxs

> save PanelB.tif supersample 4 transparentBackground false

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/PanelB.cxs

——— End of log from Tue May 23 15:07:19 2023 ———

opened ChimeraX session  

> close #2

> close #1

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_PF1-3.mrc

Opened TSA_GMPCPP_PF1-3.mrc as #1, grid size 568,568,568, pixel 1.06, shown at
level 0.00121, step 4, values float32  

> volume #1 level 0.004255

> volume #1 step 1

> volume #1 level 0.005313

> hide #!3 models

> show #!3 models

> close #4

> select add #3

27454 atoms, 28070 bonds, 4 pseudobonds, 3494 residues, 2 models selected  

> ui mousemode right "translate selected models"

> view matrix models
> #3,0.99997,-0.0070702,0.00080825,16.472,0.0070717,0.99997,-0.00196,-116.13,-0.00079438,0.0019657,1,-74.368

> ui mousemode right "rotate selected models"

> view matrix models
> #3,0.48722,0.86679,0.10628,-114.84,-0.87326,0.48273,0.066302,399.72,0.0061653,-0.12511,0.99212,-30.253

> view matrix models
> #3,0.5962,0.78398,0.17298,-150.2,-0.79862,0.60119,0.027812,339.83,-0.082191,-0.15473,0.98453,18.12

> view matrix models
> #3,0.47869,0.84102,0.25207,-146.89,-0.87409,0.48353,0.046624,405.78,-0.082669,-0.24265,0.96659,54.595

> view matrix models
> #3,0.5221,0.83576,0.17005,-137.53,-0.85284,0.51354,0.094532,372.06,-0.0083214,-0.19438,0.98089,3.2948

> ui mousemode right "translate selected models"

> view matrix models
> #3,0.5221,0.83576,0.17005,-133.31,-0.85284,0.51354,0.094532,377.87,-0.0083214,-0.19438,0.98089,7.7574

> view matrix models
> #3,0.5221,0.83576,0.17005,-129.96,-0.85284,0.51354,0.094532,385.17,-0.0083214,-0.19438,0.98089,3.9906

> ui mousemode right "rotate selected models"

> view matrix models
> #3,0.556,0.8181,0.14689,-130.39,-0.83117,0.54644,0.10275,362.38,0.0037968,-0.17922,0.9838,-7.1033

> view matrix models
> #3,0.67704,0.73584,0.012731,-109.47,-0.72951,0.66872,0.14361,266.01,0.097162,-0.10652,0.98955,-72.031

> view matrix models
> #3,0.42066,0.90114,0.10484,-91.984,-0.90106,0.40157,0.16378,422.72,0.10549,-0.16336,0.98091,-52.839

> view matrix models
> #3,0.9019,0.43045,-0.035886,-78.428,-0.43059,0.90254,0.0042189,105.96,0.034204,0.011647,0.99935,-90.998

> view matrix models
> #3,0.86221,0.50219,-0.066334,-78.232,-0.49635,0.86372,0.08733,120.73,0.10115,-0.042372,0.99397,-97.463

> ui mousemode right "translate selected models"

> view matrix models
> #3,0.86221,0.50219,-0.066334,-62.832,-0.49635,0.86372,0.08733,123.6,0.10115,-0.042372,0.99397,-105.95

> view matrix models
> #3,0.86221,0.50219,-0.066334,-94.814,-0.49635,0.86372,0.08733,116.59,0.10115,-0.042372,0.99397,-94.397

> ui tool show "Fit in Map"

> fitmap #3 inMap #1

Fit molecule TSA_MT_GMPCPP_lateral.pdb (#3) to map TSA_GMPCPP_PF1-3.mrc (#1)
using 27454 atoms  
average map value = 0.01017, steps = 152  
shifted from previous position = 9.58  
rotated from previous position = 21.6 degrees  
atoms outside contour = 4683, contour level = 0.0053131  
  
Position of TSA_MT_GMPCPP_lateral.pdb (#3) relative to TSA_GMPCPP_PF1-3.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.63262637 0.77445622 0.00119925 -122.99885644  
-0.77445621 0.63262726 -0.00057600 343.63460587  
-0.00120477 -0.00056438 0.99999912 -64.91381952  
Axis 0.00000750 0.00155207 -0.99999880  
Axis point 300.60025950 301.41401110 0.00000000  
Rotation angle (degrees) 50.75584145  
Shift along axis 65.44616329  
  

> volume #1 color #b2b2b280

> select add #1

27454 atoms, 28070 bonds, 4 pseudobonds, 3494 residues, 4 models selected  

> view matrix models
> #3,0.63263,0.77446,0.0011993,-95.454,-0.77446,0.63263,-0.000576,396.88,-0.0012048,-0.00056438,1,-64.23,#1,1,0,0,27.545,0,1,0,53.244,0,0,1,0.68403

> ui mousemode right zoom

> open /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_MT_GMPCPP_FINAL-
> coot-1.pdb

Chain information for TSA_MT_GMPCPP_FINAL-coot-1.pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
I | No description available  
Q | No description available  
  

> select subtract #1

27454 atoms, 28070 bonds, 4 pseudobonds, 3494 residues, 2 models selected  

> select add #1

27454 atoms, 28070 bonds, 4 pseudobonds, 3494 residues, 4 models selected  

> hide #!2 models

> show #!2 models

> hide #!3 models

> ui mousemode right "translate selected models"

> view matrix models
> #3,0.63263,0.77446,0.0011993,-103.36,-0.77446,0.63263,-0.000576,386.98,-0.0012048,-0.00056438,1,-62.866,#1,1,0,0,19.642,0,1,0,43.348,0,0,1,2.0479

> undo

> select subtract #3

2 models selected  

> select add #2

13727 atoms, 14035 bonds, 2 pseudobonds, 1747 residues, 4 models selected  

> view matrix models
> #1,1,0,0,30.425,0,1,0,56.923,0,0,1,-0.19123,#2,1,0,0,2.8805,0,1,0,3.6788,0,0,1,-0.87525

> undo

> show #!3 models

> select subtract #1

13727 atoms, 14035 bonds, 2 pseudobonds, 1747 residues, 2 models selected  

> view matrix models #2,1,0,0,-72.579,0,1,0,-88.692,0,0,1,0.93481

> ui tool show "Fit in Map"

> fitmap #2 inMap #1

Fit molecule TSA_MT_GMPCPP_FINAL-coot-1.pdb (#2) to map TSA_GMPCPP_PF1-3.mrc
(#1) using 13727 atoms  
average map value = 0, steps = 36  
shifted from previous position = 2.62  
rotated from previous position = 0.869 degrees  
atoms outside contour = 13727, contour level = 0.0053131  
  
Position of TSA_MT_GMPCPP_FINAL-coot-1.pdb (#2) relative to
TSA_GMPCPP_PF1-3.mrc (#1) coordinates:  
Matrix rotation and translation  
0.99996889 0.00665364 -0.00423550 -103.93252220  
-0.00659819 0.99989406 0.01297417 -141.70837803  
0.00432137 -0.01294582 0.99990686 3.77997777  
Axis -0.85424270 -0.28200795 -0.43673897  
Axis point 0.00000000 4520.69776293 8196.69196654  
Rotation angle (degrees) 0.86928667  
Shift along axis 127.09562417  
  

> fitmap #2 inMap #1

Fit molecule TSA_MT_GMPCPP_FINAL-coot-1.pdb (#2) to map TSA_GMPCPP_PF1-3.mrc
(#1) using 13727 atoms  
average map value = 0, steps = 24  
shifted from previous position = 0  
rotated from previous position = 0 degrees  
atoms outside contour = 13727, contour level = 0.0053131  
  
Position of TSA_MT_GMPCPP_FINAL-coot-1.pdb (#2) relative to
TSA_GMPCPP_PF1-3.mrc (#1) coordinates:  
Matrix rotation and translation  
0.99996889 0.00665364 -0.00423550 -103.93252220  
-0.00659819 0.99989406 0.01297417 -141.70837803  
0.00432137 -0.01294582 0.99990686 3.77997777  
Axis -0.85424270 -0.28200795 -0.43673897  
Axis point 0.00000000 4520.69776293 8196.69196654  
Rotation angle (degrees) 0.86928667  
Shift along axis 127.09562417  
  

> view matrix models
> #2,0.99997,0.0066536,-0.0042355,-75.927,-0.0065982,0.99989,0.012974,-87.356,0.0043214,-0.012946,0.99991,1.5818

> view matrix models
> #2,0.99997,0.0066536,-0.0042355,-9.7173,-0.0065982,0.99989,0.012974,-119.99,0.0043214,-0.012946,0.99991,-10.199

> fitmap #2 inMap #1

Fit molecule TSA_MT_GMPCPP_FINAL-coot-1.pdb (#2) to map TSA_GMPCPP_PF1-3.mrc
(#1) using 13727 atoms  
average map value = 0.005199, steps = 148  
shifted from previous position = 15.3  
rotated from previous position = 1.78 degrees  
atoms outside contour = 8136, contour level = 0.0053131  
  
Position of TSA_MT_GMPCPP_FINAL-coot-1.pdb (#2) relative to
TSA_GMPCPP_PF1-3.mrc (#1) coordinates:  
Matrix rotation and translation  
0.99964393 0.02273577 -0.01396782 -49.01553980  
-0.02289784 0.99967103 -0.01155474 -167.43970134  
0.01370052 0.01187046 0.99983568 -13.22151620  
Axis 0.40193381 -0.47473825 -0.78298965  
Axis point -5905.69414710 3303.37940015 0.00000000  
Rotation angle (degrees) 1.66987085  
Shift along axis 70.14133913  
  

> ui mousemode right "rotate selected models"

> view matrix models
> #2,0.23637,0.96807,-0.083515,-56.332,-0.97002,0.24009,0.037656,526.8,0.056505,0.072111,0.99579,-50.681

> fitmap #2 inMap #1

Fit molecule TSA_MT_GMPCPP_FINAL-coot-1.pdb (#2) to map TSA_GMPCPP_PF1-3.mrc
(#1) using 13727 atoms  
average map value = 0.009965, steps = 152  
shifted from previous position = 4.79  
rotated from previous position = 27 degrees  
atoms outside contour = 2418, contour level = 0.0053131  
  
Position of TSA_MT_GMPCPP_FINAL-coot-1.pdb (#2) relative to
TSA_GMPCPP_PF1-3.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.22021066 0.97545222 -0.00047535 73.54812073  
-0.97545169 -0.22021105 -0.00104893 662.23478712  
-0.00112786 0.00023270 0.99999934 -4.54032169  
Axis 0.00065694 0.00033446 -0.99999973  
Axis point 301.47142033 301.72024148 0.00000000  
Rotation angle (degrees) 102.72143734  
Shift along axis 4.81012972  
  

> select add #3

41181 atoms, 42105 bonds, 6 pseudobonds, 5241 residues, 4 models selected  

> select add #1

41181 atoms, 42105 bonds, 6 pseudobonds, 5241 residues, 6 models selected  

> select subtract #1

41181 atoms, 42105 bonds, 6 pseudobonds, 5241 residues, 4 models selected  

> ui tool show "Surface Zone"

> surface zone #1 nearAtoms sel distance 10

> surface zone #1 nearAtoms sel distance 8

[Repeated 1 time(s)]

> surface zone #1 nearAtoms sel distance 7

[Repeated 1 time(s)]

> surface zone #1 nearAtoms sel distance 6

[Repeated 1 time(s)]

> view matrix models
> #3,0.60678,0.40965,0.68118,-174.55,-0.40491,0.89674,-0.1786,212.33,-0.68401,-0.16745,0.71,359.19,#2,0.050632,0.73137,0.6801,-62.791,-0.95564,0.23331,-0.17975,568.34,-0.29014,-0.64083,0.71074,426.64

> undo

> select add #1

41181 atoms, 42105 bonds, 6 pseudobonds, 5241 residues, 6 models selected  

> view matrix models
> #3,0.52817,0.82772,-0.18952,-11.422,-0.84688,0.52976,-0.046409,473.43,0.061989,0.18501,0.98078,-142.57,#1,0.97494,0.11471,-0.19063,56.703,-0.12553,0.99104,-0.045687,114.47,0.18368,0.068472,0.9806,-79.857,#2,-0.32637,0.9257,-0.19121,205.24,-0.93901,-0.3407,-0.046667,761.74,-0.10835,0.16432,0.98044,-25.455

> surface zone #1 nearAtoms sel distance 5

[Repeated 1 time(s)]

> select clear

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_3PF.cxs

> hide #!1 models

> select /Q,F

10242 atoms, 10470 bonds, 1302 residues, 2 models selected  

> select /Q,F,B,D

20487 atoms, 20943 bonds, 2604 residues, 2 models selected  

> ui tool show "Color Actions"

> color sel cornflower blue

> select /F,D

6829 atoms, 6981 bonds, 868 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel medium blue

> select /A,I

13796 atoms, 14108 bonds, 4 pseudobonds, 1758 residues, 4 models selected  

> ui tool show "Color Actions"

> color sel dark sea green

> select /C,E

6898 atoms, 7054 bonds, 2 pseudobonds, 879 residues, 2 models selected  

> ui tool show "Color Actions"

> color sel green

> color sel forest green

> color sel green

> select clear

> show #!1 models

> ui mousemode right "translate selected models"

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_3PF.cxs

> volume #1 level 0.004839

> volume #1 level 0.005313

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_3PF.cxs

——— End of log from Wed May 24 09:54:31 2023 ———

opened ChimeraX session  

> ui tool show "Side View"

> ui tool show "Volume Viewer"

> volume #1 level 0.0063

> volume #1 level 0.005774

> color #1 #b2b2b233 models

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_3PF.cxs

> save TSA_GMPCPP_3PFs.tif supersample 4 transparentBackground false

> volume #1 level 0.006366

> volume #1 level 0.006827

> volume #1 level 0.007551

> hide atoms

> select :G2P

192 atoms, 204 bonds, 6 residues, 2 models selected  

> show sel atoms

> color sel byhetero

> select :GTP

192 atoms, 204 bonds, 6 residues, 2 models selected  

> color sel byhetero

> select :MG

12 atoms, 12 residues, 2 models selected  

> show sel atoms

> color sel byhetero

> select :GTP

192 atoms, 204 bonds, 6 residues, 2 models selected  

> show sel atoms

> select clear

> select #3/F:57

4 atoms, 3 bonds, 1 residue, 1 model selected  

> color sel magenta

> select #3/F:35

7 atoms, 6 bonds, 1 residue, 1 model selected  

> color sel magenta

> show sel atoms

> style sel stick

Changed 7 atom styles  

> color sel byhetero

> select clear

> volume #1 level 0.008604

> select #2/Q:281

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> show #!1 models

> save "/Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_with_resibue_changesbetween
> BII.cxs"

> show sel atoms

> select #3/F:53

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #3/F:58

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> color sel byhetero

> select #2/Q:281

12 atoms, 12 bonds, 1 residue, 1 model selected  

> color sel byhetero

> hide #!1 models

> hide sel atoms

> select #3/F:58

9 atoms, 8 bonds, 1 residue, 1 model selected  

> hide sel atoms

> show #!1 models

> hide #!1 models

> select #2/Q:281

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> hide #!2 models

> show #!2 models

> show #!1 models

> hide #!1 models

> select #3/F:53

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

[Repeated 1 time(s)]

> hide sel atoms

> show #!1 models

> hide #!1 models

> select #3/F:58

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> show #!1 models

> hide #!1 models

> select #2/Q:281

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

[Repeated 1 time(s)]

> select #2/Q:280

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> show #!1 models

> hide #!1 models

> color sel byhetero

> show #!1 models

> hide #!1 models

> select #3/F:83

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> show #!1 models

> hide #!1 models

> show #!1 models

> color sel byhetero

> select #3/F:87

7 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> color sel byhetero

> select #2/Q:277

4 atoms, 3 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #3/F:60

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel cartoons

> show sel atoms

> style sel stick

Changed 7 atom styles  

> color sel byhetero

> select #3/F:54

5 atoms, 4 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 5 atom styles  

> color sel byhetero

> save "/Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_with_resibue_changesbetween
> BII_residues_shown.cxs"

> select #3/F:53

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/Q:283

5 atoms, 4 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #2/Q:288

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> hide sel atoms

> select #2/Q:291

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> select clear

> select #3/F:125

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> color sel byhetero

> select #2/Q:294

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> select /Q:367

22 atoms, 22 bonds, 2 residues, 2 models selected  

> show sel atoms

> select /K:310

Nothing selected  

> show atoms

> undo

> select /K:310

Nothing selected  

> select #2/Q:310

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> select #2/Q:305

7 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

Drag select of 26 atoms, 55 residues, 28 bonds  

> hide sel atoms

Drag select of 15 atoms, 22 residues, 15 bonds  

> hide sel atoms

Drag select of 8 atoms, 48 residues, 8 bonds  

> hide sel atoms

> select clear

Drag select of 11 atoms, 36 residues, 10 bonds  

> hide sel atoms

> select clear

> select #2/Q:287

7 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select /K:325

Nothing selected  

> select /K :325

Nothing selected  

> select /K

Nothing selected  

> select :221

108 atoms, 96 bonds, 12 residues, 2 models selected  

> select :221

108 atoms, 96 bonds, 12 residues, 2 models selected  

> show sel atoms

> hide sel cartoons

> hide sel atoms

> select #2/Q:278

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #2/Q:282

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> show #!1 models

> hide #!1 models

> hide sel atoms

> select #3/F:33

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> color sel byhetero

> hide #!1 models

> select #2/Q:283@CA

1 atom, 1 residue, 1 model selected  

> select #2/Q:283

5 atoms, 4 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #2/Q:284

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> select ?B

Expected an objects specifier or a keyword  

> select /B

6830 atoms, 6982 bonds, 868 residues, 2 models selected  

> select #2/Q:284

8 atoms, 7 bonds, 1 residue, 1 model selected  

> ui tool show Rotamers

> swapaa interactive sel LEU rotLib Dunbrack

TSA_MT_GMPCPP_FINAL-coot-1.pdb #2/Q LEU 284: phi -90.7, psi 85.1 trans  
Changed 45 bond radii  

> swapaa #!2/Q:284 LEU criteria 7 rotLib Dunbrack retain false

Using Dunbrack library  
TSA_MT_GMPCPP_FINAL-coot-1.pdb #!2/Q LEU 284: phi -90.7, psi 85.1 trans  
Applying LEU rotamer (chi angles: 70.6 164.8) to TSA_MT_GMPCPP_FINAL-
coot-1.pdb #!2/Q LEU 284  

> select #3/F:55

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> select #2/Q:284

8 atoms, 7 bonds, 1 residue, 1 model selected  

> color sel byhetero

[Repeated 1 time(s)]

> select #3/F:55

7 atoms, 6 bonds, 1 residue, 1 model selected  

> color sel byhetero

> save "/Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_with_resibue_changesbetween
> BII_residues_shown.cxs"

> ui tool show Distances

> select #3/F:55@CG2

1 atom, 1 residue, 1 model selected  

> select add #2/Q:284@CD2

2 atoms, 2 residues, 2 models selected  

> distance #3/F:55@CG2 #2/Q:284@CD2

Distance between TSA_MT_GMPCPP_lateral.pdb #3/F THR 55 CG2 and
TSA_MT_GMPCPP_FINAL-coot-1.pdb #2/Q LEU 284 CD2: 2.981Å  

> ~distance #3/F:55@CG2 #2/Q:284@CD2

> select #3/F:122

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #2/Q:288

18 atoms, 16 bonds, 2 residues, 2 models selected  

> show sel target ab

> style sel stick

Changed 18 atom styles  

> color sel byhetero

> select #3/F:122@NZ

1 atom, 1 residue, 1 model selected  

> select add #2/A:289

6 atoms, 4 bonds, 2 residues, 2 models selected  

> select #2/Q:288@OE1

1 atom, 1 residue, 1 model selected  

> select add #3/F:122@NZ

2 atoms, 2 residues, 2 models selected  

> distance #2/Q:288@OE1 #3/F:122@NZ

Distance between TSA_MT_GMPCPP_FINAL-coot-1.pdb #2/Q GLU 288 OE1 and
TSA_MT_GMPCPP_lateral.pdb #3/F LYS 122 NZ: 6.346Å  

> show #!1 models

> volume #1 level 0.007588

> hide #!1 models

> select #2/Q:292

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> show #!1 models

> hide #!1 models

> hide sel atoms

> select add #2/Q:291@OE1

10 atoms, 8 bonds, 2 residues, 1 model selected  

> select add #3/F:122@NZ

11 atoms, 8 bonds, 1 pseudobond, 3 residues, 3 models selected  
Exactly two atoms must be selected!  

> select #3/F:122@NZ

1 atom, 1 residue, 1 model selected  

> select add #2/Q:291@OE1

2 atoms, 2 residues, 2 models selected  

> distance #3/F:122@NZ #2/Q:291@OE1

Distance between TSA_MT_GMPCPP_lateral.pdb #3/F LYS 122 NZ and
TSA_MT_GMPCPP_FINAL-coot-1.pdb #2/Q GLN 291 OE1: 6.106Å  

> ~distance #2/Q:288@OE1 #3/F:122@NZ

> select #2/Q:288

9 atoms, 8 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #3/F:122

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/Q:280

9 atoms, 8 bonds, 1 residue, 1 model selected  

> hide sel atoms

> show sel atoms

> hide sel atoms

> ~distance #3/F:122@NZ #2/Q:291@OE1

> select #2/Q:284

8 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #2/Q:283

5 atoms, 4 bonds, 1 residue, 1 model selected  

> show sel atoms

> save "/Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_with_resibue_changesbetween
> BII_residues_shown.cxs"

> select #2/Q:288

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #3/F:122@NZ

1 atom, 1 residue, 1 model selected  

> select add #2/Q:288@OE1

2 atoms, 2 residues, 2 models selected  

> distance #3/F:122@NZ #2/Q:288@OE1

Distance between TSA_MT_GMPCPP_lateral.pdb #3/F LYS 122 NZ and
TSA_MT_GMPCPP_FINAL-coot-1.pdb #2/Q GLU 288 OE1: 6.346Å  

> ~distance #3/F:122@NZ #2/Q:288@OE1

> select #3/F:58@NZ

1 atom, 1 residue, 1 model selected  

> select add #2/Q:281@OH

2 atoms, 2 residues, 2 models selected  

> distance #3/F:58@NZ #2/Q:281@OH

Distance between TSA_MT_GMPCPP_lateral.pdb #3/F LYS 58 NZ and
TSA_MT_GMPCPP_FINAL-coot-1.pdb #2/Q TYR 281 OH: 4.187Å  

> select #3/F:55

7 atoms, 6 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #2/Q:280

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #3/F:55

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #2/Q:280

9 atoms, 8 bonds, 1 residue, 1 model selected  

> hide sel atoms

> distance style symbol false

[Repeated 2 time(s)]

> distance style symbol true

[Repeated 2 time(s)]

> select #3/F:33@CG2

1 atom, 1 residue, 1 model selected  

> select add #3/F:60

8 atoms, 6 bonds, 2 residues, 1 model selected  

> select #3/F:58@NZ

1 atom, 1 residue, 1 model selected  

> select add #3/F:33@CG2

2 atoms, 2 residues, 1 model selected  

> distance #3/F:58@NZ #3/F:33@CG2

Distance between TSA_MT_GMPCPP_lateral.pdb #3/F LYS 58 NZ and THR 33 CG2:
4.317Å  

> select #3/F:237

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #3/F:33

7 atoms, 6 bonds, 1 residue, 1 model selected  

> hide sel atoms

> distance style decimalPlaces 2

[Repeated 2 time(s)]

> distance style decimalPlaces 1

[Repeated 2 time(s)]

> distance style decimalPlaces 0

[Repeated 2 time(s)]

> distance style decimalPlaces -1

Invalid "decimalPlaces" argument: Must be greater than or equal to 0  

> distance style symbol false

[Repeated 2 time(s)]

> distance style decimalPlaces 0

> distance style decimalPlaces 1

[Repeated 2 time(s)]

> select #3/F:83@NE2

1 atom, 1 residue, 1 model selected  

> select add #2/Q:281@OH

2 atoms, 2 residues, 2 models selected  

> distance #3/F:83@NE2 #2/Q:281@OH

Distance between TSA_MT_GMPCPP_lateral.pdb #3/F GLN 83 NE2 and
TSA_MT_GMPCPP_FINAL-coot-1.pdb #2/Q TYR 281 OH: 3.2  

> select add #3/F:60

9 atoms, 6 bonds, 3 residues, 2 models selected  

> select #2/Q:282

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select clear

> select #3/F:60

7 atoms, 6 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select clear

> select add #3/F:54

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select add #2/Q:283

10 atoms, 8 bonds, 2 residues, 2 models selected  

> select add #2/Q:288

19 atoms, 16 bonds, 3 residues, 2 models selected  

> select clear

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/Tyr271_Lys58.cxs

Drag select of 6 atoms, 2 residues, 5 bonds  

> hide sel atoms

Drag select of 2 atoms, 1 residues, 1 bonds  

> hide sel atoms

Drag select of 2 atoms, 1 residues, 1 bonds  

> hide sel atoms

> select #3/F:86

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> hide sel atoms

> select clear

> select #3/F:85

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 11 atom styles  

> hide sel atoms

> select #2/Q:282

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #2/Q:284

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> select #2/Q:283

5 atoms, 4 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #3/F:54

5 atoms, 4 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #2/Q:282

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #2/Q:284

8 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #2/Q:280

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select clear

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/Tyr271_Lys58.cxs

> select #3/F:53

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> hide sel atoms

> lighting simple

> lighting soft

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/Tyr271_Lys58.cxs

——— End of log from Wed May 24 14:53:47 2023 ———

opened ChimeraX session  

> select #3/F:33

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> ui tool show Rotamers

> swapaa interactive sel THR rotLib Dunbrack

TSA_MT_GMPCPP_lateral.pdb #3/F THR 33: phi -98.4, psi -9.3 trans  
Changed 12 bond radii  

> swapaa #!3/F:33 THR criteria 3 rotLib Dunbrack retain false

Using Dunbrack library  
TSA_MT_GMPCPP_lateral.pdb #!3/F THR 33: phi -98.4, psi -9.3 trans  
Applying THR rotamer (chi angles: -168.8) to TSA_MT_GMPCPP_lateral.pdb #!3/F
THR 33  

> select #3/F:33@OG1

1 atom, 1 residue, 1 model selected  

> select add #3/F:58@NZ

2 atoms, 2 residues, 1 model selected  

> ui tool show Distances

> distance #3/F:33@OG1 #3/F:58@NZ

Distance between TSA_MT_GMPCPP_lateral.pdb #3/F THR 33 OG1 and LYS 58 NZ: 4.2  

> select clear

> ui tool show "Side View"

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/Tyr271_Lys58.cxs

——— End of log from Wed May 24 14:59:33 2023 ———

opened ChimeraX session  

> ui tool show "Side View"

> select /F,Q

10242 atoms, 10470 bonds, 3 pseudobonds, 1302 residues, 3 models selected  

> select /F,Q :33,35,37,55

93 atoms, 84 bonds, 12 residues, 2 models selected  

> select /F,Q :33,35,37,55,56

105 atoms, 96 bonds, 15 residues, 2 models selected  

> select /F,Q :33,35,37,55,56,57

117 atoms, 108 bonds, 18 residues, 2 models selected  

> select /F,Q :33,35,37,55,56,57,80

138 atoms, 129 bonds, 21 residues, 2 models selected  

> select /F,Q :33,35,37,55,56,57,80,83,84,124,126

222 atoms, 204 bonds, 33 residues, 2 models selected  

> select /F,Q :33,35,37,55,56,57,80,83,84,124,126,155

246 atoms, 225 bonds, 36 residues, 2 models selected  

> select /F,Q :33,35,37,55,56,57,80,83,84,124,126,155,170

267 atoms, 243 bonds, 39 residues, 2 models selected  

> select /F,Q :33,35,37,55,56,57,80,83,84,124,126,155,170,189

288 atoms, 261 bonds, 42 residues, 2 models selected  

> select /F,Q :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201

306 atoms, 276 bonds, 45 residues, 2 models selected  

> select /F,Q :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218

327 atoms, 294 bonds, 48 residues, 2 models selected  

> select /F,Q :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239

345 atoms, 309 bonds, 51 residues, 2 models selected  

> select /F,Q :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239,275

363 atoms, 324 bonds, 54 residues, 2 models selected  

> select /F,Q
> :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239,275,296

378 atoms, 336 bonds, 57 residues, 2 models selected  

> select /F,Q
> :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239,275,296,315,316

414 atoms, 369 bonds, 63 residues, 2 models selected  

> select /F,Q
> :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239,275,296,315,316,332

438 atoms, 390 bonds, 66 residues, 2 models selected  

> select /F,Q
> :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239,275,296,315,316,332,333,335,351

504 atoms, 450 bonds, 75 residues, 2 models selected  

> select /F,Q
> :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239,275,296,315,316,332,333,335,351,365

525 atoms, 468 bonds, 78 residues, 2 models selected  

> select /F,Q
> :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239,275,296,315,316,332,333,335,351,365,431

540 atoms, 480 bonds, 81 residues, 2 models selected  

> select /F,Q
> :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239,275,296,315,316,332,333,335,351,365,431,433

540 atoms, 480 bonds, 81 residues, 2 models selected  

> select /F,Q
> :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239,275,296,315,316,332,333,335,351,365,431

540 atoms, 480 bonds, 81 residues, 2 models selected  

> color sel magenta

> ui tool show Distances

> ~distance #3/F:33@OG1 #3/F:58@NZ

> ~distance #3/F:58@NZ #2/Q:281@OH

> ~distance #3/F:83@NE2 #2/Q:281@OH

> style sel ball

Changed 540 atom styles  

> hide sel atoms

> select /F,Q
> :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239,275,296,315,316,332,333,335,351,365,431@CA

81 atoms, 81 residues, 2 models selected  

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_vs_bIIandbIII_mutations.cxs

> select /F,Q
> :33@CA,35@CA,37@CA,55@CA,56@CA,57@CA,80@CA,83@CA,84@CA,124@CA,126@CA,155@CA,170@CA,189@CA,201@CA,218@CA,239@CA,275@CA,296@CA,315@CA,316@CA,332@CA,333@CA,335@CA,351@CA,365@CA,431@CA

3 atoms, 3 residues, 2 models selected  

> style sel ball

Changed 3 atom styles  

> show sel atoms

> select /F,Q
> :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239,275,296,315,316,332,333,335,351,365,431@CA

81 atoms, 81 residues, 2 models selected  

> color sel magenta

> select

41181 atoms, 42105 bonds, 6 pseudobonds, 5241 residues, 6 models selected  

> hide (#!2-3 & sel-residues & (protein|nucleic)) target a

> cartoon hide (#!2-3 & sel-residues)

> show (#!2-3 & sel-residues & ((protein&@ca)|(nucleic&@p))) target ab

> hide sel cartoons

> hide sel atoms

> show sel atoms

> select

41181 atoms, 42105 bonds, 6 pseudobonds, 5241 residues, 6 models selected  

> hide (#!2-3 & sel-residues & (protein|nucleic)) target a

> cartoon hide (#!2-3 & sel-residues)

> show (#!2-3 & sel-residues & ((protein&@ca)|(nucleic&@p))) target ab

> style sel stick

Changed 41181 atom styles  

> select /F,Q
> :33,35,37,55,56,57,80,83,84,124,126,155,170,189,201,218,239,275,296,315,316,332,333,335,351,365,431@CA

81 atoms, 15 pseudobonds, 81 residues, 4 models selected  

> style sel ball

Changed 81 atom styles  

> select clear

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/TSA_GMPCPP_vs_bIIandbIII_mutations.cxs

> save TSA_vs_BIIandBIII.tif supersample 4 transparentBackground false

> show cartoons

> save TSA_vs_BIIandBIII.tif supersample 4 transparentBackground false

> select #3/F:33

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> select #3/F:35

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> style sel stick

Changed 7 atom styles  

> select #3/F:33@CA

1 atom, 1 residue, 1 model selected  

> style sel stick

Changed 1 atom style  

> select #3/F:58

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> select #2/Q:280

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel cartoons

> show sel cartoons

> hide sel atoms

> select #2/Q:281

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> select #3/F:83

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> style sel stick

Changed 9 atom styles  

> select #3/F:67

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #3/F:87

7 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #3/F:54

5 atoms, 4 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #2/Q:283

5 atoms, 4 bonds, 1 residue, 1 model selected  

> show sel atoms

> select clear

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/lateral_Interface_substitutions_TSA_bII_bIII.cxs

> save TSA_vs_BIIandBIII_lateral_interfcae.tif supersample 4
> transparentBackground false

[Repeated 1 time(s)]

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/lateral_Interface_substitutions_TSA_bII_bIII.cxs

> select #3/F:55

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> color sel byhetero

> select #2/Q:275

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> style sel stick

Changed 6 atom styles  

> select #3/F:80

7 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> color sel byhetero

> select #3/F:37

10 atoms, 10 bonds, 1 residue, 1 model selected  

> hide sel atoms

> show sel atoms

> color sel byhetero

> style sel stick

Changed 10 atom styles  

> save /Users/zehrea/Documents/Roll-
> Mecak_lab/PAPERS/JMB_TSApaper/Fig1/Lateral_interface/lateral_Interface_substitutions_TSA_bII_bIII.cxs

——— End of log from Thu May 25 06:47:12 2023 ———

opened ChimeraX session  

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/models/TSA_MT_GMPCP_FINAL.pdb

Chain information for TSA_MT_GMPCP_FINAL.pdb #4  
---  
Chain | Description  
A | No description available  
B Q | No description available  
I | No description available  
  

> ui tool show Matchmaker

> show #!1 models

> hide #!1 models

> hide #!2 models

> show #!2 models

> hide #!3 models

> show #!3 models

> ui tool show Matchmaker

> matchmaker #!4 to #2

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker TSA_MT_GMPCPP_FINAL-coot-1.pdb, chain I (#2) with
TSA_MT_GMPCP_FINAL.pdb, chain A (#4), sequence alignment score = 2257.8  
RMSD between 436 pruned atom pairs is 0.456 angstroms; (across all 437 pairs:
0.482)  
  

> view sel

> ui tool show "Side View"

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/models/TSA_MT_GMPCP_FINAL.pdb
> format pdb

Chain information for TSA_MT_GMPCP_FINAL.pdb #5  
---  
Chain | Description  
A | No description available  
B Q | No description available  
I | No description available  
  
Drag select of 25 atoms, 235 residues, 28 bonds  

> hide #!2 models

> show #!2 models

> hide #!3 models

> show #!3 models

> matchmaker #!5 to #3 & sel

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker TSA_MT_GMPCPP_lateral.pdb, chain F (#3) with
TSA_MT_GMPCP_FINAL.pdb, chain Q (#5), sequence alignment score = 848.3  
RMSD between 160 pruned atom pairs is 0.296 angstroms; (across all 160 pairs:
0.296)  
  

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/models/TSA_MT_GMPCP_FINAL.pdb
> format pdb

Chain information for TSA_MT_GMPCP_FINAL.pdb #6  
---  
Chain | Description  
A | No description available  
B Q | No description available  
I | No description available  
  

> select clear

Drag select of 65 atoms, 720 residues, 68 bonds  

> matchmaker #!6 to #3 & sel

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker TSA_MT_GMPCPP_lateral.pdb, chain A (#3) with
TSA_MT_GMPCP_FINAL.pdb, chain I (#6), sequence alignment score = 1555.8  
RMSD between 298 pruned atom pairs is 0.479 angstroms; (across all 300 pairs:
0.524)  
  

> hide #!5 models

> hide #!6 models

> hide #!4 models

Drag select of 99 atoms, 1180 residues, 102 bonds  

> select clear

Drag select of 123 atoms, 1167 residues, 134 bonds  

> matchmaker #!6 to #3 & sel

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker TSA_MT_GMPCPP_lateral.pdb, chain I (#3) with
TSA_MT_GMPCP_FINAL.pdb, chain I (#6), sequence alignment score = 1551.4  
RMSD between 298 pruned atom pairs is 0.452 angstroms; (across all 300 pairs:
0.489)  
  

> show #!6 models

> hide #!6 models

> select clear

Drag select of 132 atoms, 1319 residues, 1 pseudobonds, 136 bonds  

> matchmaker #!4 to #2 & sel

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker TSA_MT_GMPCPP_FINAL-coot-1.pdb, chain B (#2) with
TSA_MT_GMPCP_FINAL.pdb, chain Q (#4), sequence alignment score = 1786.2  
RMSD between 344 pruned atom pairs is 0.380 angstroms; (across all 347 pairs:
0.464)  
  

> show #!4 models

> hide #!4 models

> close #1

> hide #!2 models

> show #!2 models

> close #2

> close #3

> show #!4 models

> show #!5 models

> show #!6 models

> close #4

> save
> "/Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/New
> Folder/lateral_interface.cxs"

> select #5 /B,Q

6825 atoms, 6977 bonds, 868 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel light blue

> select #6 /B,Q

6825 atoms, 6977 bonds, 868 residues, 1 model selected  

> color sel dodger blue

> color sel royal blue

> color sel deep sky blue

> select #5 /A,I

6898 atoms, 7054 bonds, 2 pseudobonds, 879 residues, 2 models selected  

> color sel dark sea green

> select #6 /A,I

6898 atoms, 7054 bonds, 2 pseudobonds, 879 residues, 2 models selected  

> color sel medium spring green

> select clear

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/Lateral_panelA.cxs

> hide #5.1 models

> hide #6.1 models

> select /GTP,G2P,Mg

Nothing selected  

> select :GTP,G2P,Mg

264 atoms, 272 bonds, 16 residues, 2 models selected  

> color sel byhetero

> select clear

> cd
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New

Current working directory is:
/Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New  

> save PanelA.tif supersample 4 TransparentBackground True

Expected a keyword  

> save PanelA.tif supersample 4 Transparentbackground True

Expected a keyword  
No help found for 'help:user/commands/save.htmlback'  

> save PanelA.tif supersample 4 transparentBackground true

> ui mousemode right zoom

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/lateral_interface.cxs

——— End of log from Mon Oct 2 12:53:18 2023 ———

opened ChimeraX session  

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_interface/TSA_GMPCPP_PF1-3.mrc
> format mrc

Opened TSA_GMPCPP_PF1-3.mrc as #1, grid size 568,568,568, pixel 1.06, shown at
level 0.00121, step 4, values float32  

> volume #1 level 0.004139

> volume #1 step 1

> volume #1 level 0.004859

> volume #1 color #b2b2b286

> hide #!1 models

> show #!1 models

> select add #5

13723 atoms, 14031 bonds, 2 pseudobonds, 1747 residues, 2 models selected  

> select add #6

27446 atoms, 28062 bonds, 4 pseudobonds, 3494 residues, 4 models selected  

> hide #!5 models

> show #!5 models

> ui mousemode right translate

> ui mousemode right "translate selected models"

> view matrix models
> #5,0.11535,0.97462,-0.19185,-4.5057,-0.99298,0.10806,-0.04809,549.55,-0.026139,0.19605,0.98025,-62.085,#6,0.5255,0.82936,-0.18979,-82.76,-0.84856,0.52707,-0.046288,380.01,0.061645,0.18537,0.98073,-94.305

> view matrix models
> #5,0.11535,0.97462,-0.19185,-3.8803,-0.99298,0.10806,-0.04809,548.57,-0.026139,0.19605,0.98025,-67.517,#6,0.5255,0.82936,-0.18979,-82.134,-0.84856,0.52707,-0.046288,379.02,0.061645,0.18537,0.98073,-99.736

> ui tool show "Fit in Map"

> fitmap #5 inMap #1

Fit molecule TSA_MT_GMPCP_FINAL.pdb (#5) to map TSA_GMPCPP_PF1-3.mrc (#1)
using 13723 atoms  
average map value = 0.0101, steps = 152  
shifted from previous position = 12.2  
rotated from previous position = 22.2 degrees  
atoms outside contour = 1844, contour level = 0.0048592  
  
Position of TSA_MT_GMPCP_FINAL.pdb (#5) relative to TSA_GMPCPP_PF1-3.mrc (#1)
coordinates:  
Matrix rotation and translation  
-0.21893478 0.97573932 -0.00058658 72.97041403  
-0.97573864 -0.21893535 -0.00118783 661.89450615  
-0.00128744 0.00031229 0.99999912 -4.52016560  
Axis 0.00076871 0.00035914 -0.99999964  
Axis point 301.40111596 301.74205866 0.00000000  
Rotation angle (degrees) 102.64651770  
Shift along axis 4.81397198  
  

> fitmap #6 inMap #1

Fit molecule TSA_MT_GMPCP_FINAL.pdb (#6) to map TSA_GMPCPP_PF1-3.mrc (#1)
using 13723 atoms  
average map value = 0.01034, steps = 164  
shifted from previous position = 8.07  
rotated from previous position = 21.9 degrees  
atoms outside contour = 1787, contour level = 0.0048592  
  
Position of TSA_MT_GMPCP_FINAL.pdb (#6) relative to TSA_GMPCPP_PF1-3.mrc (#1)
coordinates:  
Matrix rotation and translation  
0.23128538 0.97288536 0.00107115 -61.94788636  
-0.97288555 0.23128614 -0.00064977 524.27933931  
-0.00087989 -0.00089182 0.99999922 -13.57961162  
Axis -0.00012440 0.00100271 -0.99999949  
Axis point 300.78232486 301.33242169 0.00000000  
Rotation angle (degrees) 76.62724161  
Shift along axis 14.11300937  
  

> select add #1

27446 atoms, 28062 bonds, 4 pseudobonds, 3494 residues, 7 models selected  

> view matrix models
> #5,-0.21893,0.97574,-0.00058658,98.465,-0.97574,-0.21894,-0.0011878,704.66,-0.0012874,0.00031229,1,8.6816,#6,0.23129,0.97289,0.0010711,-36.453,-0.97289,0.23129,-0.00064977,567.04,-0.00087989,-0.00089182,1,-0.37785,#1,1,0,0,25.495,0,1,0,42.761,0,0,1,13.202

> ui mousemode right zoom

> volume #1 level 0.007522

> volume #1 level 0.008026

> volume #1 level 0.008602

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/MAPS/TSA_GMPCPP/PF_ref/job021/deepEMHancer2/TSA_GMPCPP_deepemhancer.mrc

Opened TSA_GMPCPP_deepemhancer.mrc as #2, grid size 568,568,568, pixel 1.06,
shown at level 0.0351, step 4, values float32  

> volume #2 step 1

> hide #!1 models

> show #!1 models

> hide #!1 models

> close #2

> close #1

> select clear

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/PF1.mrc
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/PF2.mrc

Opened PF1.mrc as #1.1, grid size 568,568,568, pixel 1.06, shown at level
7.09e-05, step 4, values float32  
Opened PF2.mrc as #1.2, grid size 568,568,568, pixel 1.06, shown at level
2.23e-05, step 4, values float32  

> volume #1.2 level 0.08034

> volume #1.1 level 0.06136

> volume #1.1 step 1

> volume #1.2 step 1

> hide #!1 models

> show #!1 models

> select add #5

13723 atoms, 14031 bonds, 2 pseudobonds, 1747 residues, 2 models selected  

> ui mousemode right "translate selected models"

> view matrix models
> #5,-0.21893,0.97574,-0.00058658,-11.511,-0.97574,-0.21894,-0.0011878,810.28,-0.0012874,0.00031229,1,-4.7575

> select add #1.2

13723 atoms, 14031 bonds, 2 pseudobonds, 1747 residues, 4 models selected  

> select add #6

27446 atoms, 28062 bonds, 4 pseudobonds, 3494 residues, 6 models selected  

> select add #1.1

27446 atoms, 28062 bonds, 4 pseudobonds, 3494 residues, 8 models selected  

> select subtract #1.1

27446 atoms, 28062 bonds, 4 pseudobonds, 3494 residues, 6 models selected  

> select subtract #1.2

27446 atoms, 28062 bonds, 4 pseudobonds, 3494 residues, 4 models selected  

> select subtract #6

13723 atoms, 14031 bonds, 2 pseudobonds, 1747 residues, 2 models selected  

> view matrix models
> #5,-0.21893,0.97574,-0.00058658,-11.297,-0.97574,-0.21894,-0.0011878,867.69,-0.0012874,0.00031229,1,-2.2623

> view matrix models
> #5,-0.21893,0.97574,-0.00058658,43.04,-0.97574,-0.21894,-0.0011878,860.59,-0.0012874,0.00031229,1,5.0104

> ui mousemode right "rotate selected models"

> view matrix models
> #5,-0.095106,0.92879,-0.35821,104.45,-0.98747,-0.13355,-0.084104,854.88,-0.12595,0.34572,0.92985,-56.42

> view matrix models
> #5,-0.33873,0.87705,0.34066,38.441,-0.71677,-0.47509,0.51043,722.05,0.60951,-0.071271,0.78957,-153.32

> view matrix models
> #5,0.1547,0.86843,0.47106,-185.44,-0.83819,0.36776,-0.40272,692.39,-0.52297,-0.33254,0.7848,388.85

> view matrix models
> #5,0.67164,0.49083,-0.55496,17.689,-0.72232,0.60041,-0.34316,545.08,0.16477,0.63134,0.7578,-232.05

> view matrix models
> #5,0.61512,0.65566,-0.43788,-51.72,-0.74375,0.66686,-0.046269,452,0.26166,0.35413,0.89784,-203.17

> view matrix models
> #5,0.63534,0.73307,-0.24281,-138.86,-0.7722,0.60621,-0.19032,522.95,0.0076776,0.30842,0.95122,-100.44

> view matrix models
> #5,0.6581,0.44703,-0.60586,52.443,-0.70744,0.64259,-0.2943,510.93,0.25776,0.62229,0.73913,-260.3

> view matrix models
> #5,0.51378,0.85759,0.023798,-206.47,-0.85389,0.51386,-0.082593,561.44,-0.08306,0.022114,0.9963,29.905

> view matrix models
> #5,0.50832,0.86058,0.032027,-207.56,-0.8577,0.50925,-0.070758,561.59,-0.077203,0.0084977,0.99698,32.497

> ui mousemode right "translate selected models"

> view matrix models
> #5,0.50832,0.86058,0.032027,-183.52,-0.8577,0.50925,-0.070758,579.86,-0.077203,0.0084977,0.99698,35.402

> ui mousemode right "rotate selected models"

> view matrix models
> #5,0.5449,0.83666,-0.055511,-166.33,-0.83401,0.53394,-0.13908,579.06,-0.086724,0.12208,0.98872,-0.96306

> view matrix models
> #5,0.82855,0.55351,0.084486,-208.41,-0.55203,0.83276,-0.042055,332.37,-0.093634,-0.011795,0.99554,49.758

> view matrix models
> #5,0.83173,0.54845,0.086192,-208.22,-0.54714,0.83607,-0.040236,328.75,-0.09413,-0.013694,0.99547,50.677

> view matrix models
> #5,0.95773,0.23784,0.1618,-161.66,-0.25219,0.9648,0.074606,135.62,-0.13836,-0.11226,0.984,107.62

> view matrix models
> #5,0.97836,0.2068,0.0064353,-118.03,-0.20688,0.97724,0.046996,120.37,0.0034302,-0.047311,0.99887,24.064

> ui tool show "Fit in Map"

> fitmap #5 inMap #1.2

Fit molecule TSA_MT_GMPCP_FINAL.pdb (#5) to map PF2.mrc (#1.2) using 13723
atoms  
average map value = 0.09591, steps = 112  
shifted from previous position = 5.74  
rotated from previous position = 2.53 degrees  
atoms outside contour = 9741, contour level = 0.080338  
  
Position of TSA_MT_GMPCP_FINAL.pdb (#5) relative to PF2.mrc (#1.2)
coordinates:  
Matrix rotation and translation  
0.97587569 0.21811344 0.00965119 -119.59359760  
-0.21816304 0.97590235 0.00441209 132.19809920  
-0.00845628 -0.00641119 0.99994369 10.06559759  
Axis -0.02477935 0.04145614 -0.99883301  
Axis point 539.09511298 608.11833503 0.00000000  
Rotation angle (degrees) 12.61466983  
Shift along axis -1.60997729  
  

> ui mousemode right translate

> ui mousemode right "translate selected models"

> view matrix models
> #5,0.97588,0.21811,0.0096512,-118.97,-0.21816,0.9759,0.0044121,131.6,-0.0084563,-0.0064112,0.99994,10.028

> select subtract #5

Nothing selected  

> select add #6

13723 atoms, 14031 bonds, 2 pseudobonds, 1747 residues, 2 models selected  

> view matrix models
> #6,0.23129,0.97289,0.0010711,-47.533,-0.97289,0.23129,-0.00064977,661.35,-0.00087989,-0.00089182,1,2.5647

> view matrix models
> #6,0.23129,0.97289,0.0010711,-52.761,-0.97289,0.23129,-0.00064977,661.64,-0.00087989,-0.00089182,1,2.7511

> view matrix models
> #6,0.23129,0.97289,0.0010711,-54.663,-0.97289,0.23129,-0.00064977,667.49,-0.00087989,-0.00089182,1,3.0012

> fitmap #6 inMap #1.1

Fit molecule TSA_MT_GMPCP_FINAL.pdb (#6) to map PF1.mrc (#1.1) using 13723
atoms  
average map value = 0.1042, steps = 80  
shifted from previous position = 4.15  
rotated from previous position = 0.603 degrees  
atoms outside contour = 8844, contour level = 0.061359  
  
Position of TSA_MT_GMPCP_FINAL.pdb (#6) relative to PF1.mrc (#1.1)
coordinates:  
Matrix rotation and translation  
0.23001747 0.97312869 0.01060757 -59.47140278  
-0.97318593 0.22999191 0.00358564 667.79752852  
0.00104964 -0.01114789 0.99993731 3.09817527  
Axis -0.00756966 0.00491058 -0.99995929  
Axis point 392.26519883 371.48629855 0.00000000  
Rotation angle (degrees) 76.70449753  
Shift along axis 0.63140498  
  

> select add #1

13723 atoms, 14031 bonds, 2 pseudobonds, 1747 residues, 7 models selected  

> view matrix models
> #6,0.23002,0.97313,0.010608,-59.018,-0.97319,0.22999,0.0035856,667.56,0.0010496,-0.011148,0.99994,-3.2287,#1,1,0,0,0.45368,0,1,0,-0.235,0,0,1,-6.3268

> view matrix models
> #6,0.23002,0.97313,0.010608,-60.171,-0.97319,0.22999,0.0035856,668.32,0.0010496,-0.011148,0.99994,1.7995,#1,1,0,0,-0.69951,0,1,0,0.52454,0,0,1,-1.2987

> select add #5

27446 atoms, 28062 bonds, 4 pseudobonds, 3494 residues, 9 models selected  

> view matrix models
> #5,0.97588,0.21811,0.0096512,-117.79,-0.21816,0.9759,0.0044121,131.16,-0.0084563,-0.0064112,0.99994,-18.005,#6,0.23002,0.97313,0.010608,-58.997,-0.97319,0.22999,0.0035856,667.89,0.0010496,-0.011148,0.99994,-26.233,#1,1,0,0,0.47399,0,1,0,0.0879,0,0,1,-29.331

> view matrix models
> #5,0.97588,0.21811,0.0096512,-106.62,-0.21816,0.9759,0.0044121,122.9,-0.0084563,-0.0064112,0.99994,-5.937,#6,0.23002,0.97313,0.010608,-47.819,-0.97319,0.22999,0.0035856,659.63,0.0010496,-0.011148,0.99994,-14.165,#1,1,0,0,11.652,0,1,0,-8.1669,0,0,1,-17.264

> ui mousemode right zoom

> ui mousemode right "rotate selected models"

> select subtract #1

27446 atoms, 28062 bonds, 4 pseudobonds, 3494 residues, 4 models selected  

> select subtract #5

13723 atoms, 14031 bonds, 2 pseudobonds, 1747 residues, 2 models selected  

> view matrix models
> #6,0.98607,-0.15645,-0.056457,93.227,0.14465,0.97421,-0.17319,-9.4094,0.082097,0.16261,0.98327,-106.22

> fitmap #6 inMap #1.1

Fit molecule TSA_MT_GMPCP_FINAL.pdb (#6) to map PF1.mrc (#1.1) using 13723
atoms  
average map value = 0.3651, steps = 136  
shifted from previous position = 3.57  
rotated from previous position = 13.3 degrees  
atoms outside contour = 1283, contour level = 0.061359  
  
Position of TSA_MT_GMPCP_FINAL.pdb (#6) relative to PF1.mrc (#1.1)
coordinates:  
Matrix rotation and translation  
0.99995626 -0.00919020 0.00173670 14.29597181  
0.00919104 0.99995765 -0.00048149 -11.01888220  
-0.00173220 0.00049743 0.99999838 -15.92777265  
Axis 0.05226099 0.18519250 0.98131164  
Axis point 865.46693215 1647.68652929 0.00000000  
Rotation angle (degrees) 0.53661999  
Shift along axis -16.92360129  
  

> fitmap #5 inMap #1.2

Fit molecule TSA_MT_GMPCP_FINAL.pdb (#5) to map PF2.mrc (#1.2) using 13723
atoms  
average map value = 0.1137, steps = 228  
shifted from previous position = 5.71  
rotated from previous position = 21.5 degrees  
atoms outside contour = 9084, contour level = 0.080338  
  
Position of TSA_MT_GMPCP_FINAL.pdb (#5) relative to PF2.mrc (#1.2)
coordinates:  
Matrix rotation and translation  
0.98792343 -0.15473677 0.00798852 29.12262980  
0.15467603 0.98793496 0.00773465 -33.83553109  
-0.00908898 -0.00640561 0.99993817 -9.68605842  
Axis -0.04558344 0.05505209 0.99744244  
Axis point 227.17911675 166.69128331 0.00000000  
Rotation angle (degrees) 8.92277493  
Shift along axis -12.85151225  
  

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/Lateral_panelA_wMap.cxs

> volume #1.1 color #b2b2b266

> volume #1.2 color #b2b2b266

> ui mousemode right "translate selected models"

> view matrix models
> #6,0.99996,-0.0091902,0.0017367,14.632,0.009191,0.99996,-0.00048149,-11.268,-0.0017322,0.00049743,1,-15.531

> select subtract #6

Nothing selected  

> select add #5

13723 atoms, 14031 bonds, 2 pseudobonds, 1747 residues, 2 models selected  

> view matrix models
> #5,0.98792,-0.15474,0.0079885,30.328,0.15468,0.98793,0.0077347,-34.552,-0.009089,-0.0064056,0.99994,-20.221

> fitmap #5 inMap #1.2

Fit molecule TSA_MT_GMPCP_FINAL.pdb (#5) to map PF2.mrc (#1.2) using 13723
atoms  
average map value = 0.3821, steps = 116  
shifted from previous position = 1.97  
rotated from previous position = 17.3 degrees  
atoms outside contour = 1636, contour level = 0.080338  
  
Position of TSA_MT_GMPCP_FINAL.pdb (#5) relative to PF2.mrc (#1.2)
coordinates:  
Matrix rotation and translation  
0.89697466 -0.44207886 0.00165076 175.63302639  
0.44207892 0.89697608 0.00035028 -110.38361865  
-0.00163555 0.00041557 0.99999857 -24.99441915  
Axis 0.00007385 0.00371685 0.99999309  
Axis point 324.44476895 321.68213199 0.00000000  
Rotation angle (degrees) 26.23679313  
Shift along axis -25.39155632  
  

> select add #1

13723 atoms, 14031 bonds, 2 pseudobonds, 1747 residues, 7 models selected  

> select add #6

27446 atoms, 28062 bonds, 4 pseudobonds, 3494 residues, 9 models selected  

> view matrix models
> #5,0.89697,-0.44208,0.0016508,177.73,0.44208,0.89698,0.00035028,-112.11,-0.0016355,0.00041557,1,-10.826,#6,0.99996,-0.0091902,0.0017367,16.727,0.009191,0.99996,-0.00048149,-12.989,-0.0017322,0.00049743,1,-1.3625,#1,1,0,0,13.747,0,1,0,-9.8883,0,0,1,-3.0949

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/Lateral_panelA_wMap.cxs
> includeMaps true

> view matrix models
> #5,0.89697,-0.44208,0.0016508,178.24,0.44208,0.89698,0.00035028,-112.41,-0.0016355,0.00041557,1,-8.6571,#6,0.99996,-0.0091902,0.0017367,17.234,0.009191,0.99996,-0.00048149,-13.293,-0.0017322,0.00049743,1,0.80623,#1,1,0,0,14.254,0,1,0,-10.192,0,0,1,-0.92617

> view matrix models
> #5,0.89697,-0.44208,0.0016508,178.57,0.44208,0.89698,0.00035028,-113.81,-0.0016355,0.00041557,1,-15.921,#6,0.99996,-0.0091902,0.0017367,17.569,0.009191,0.99996,-0.00048149,-14.694,-0.0017322,0.00049743,1,-6.4577,#1,1,0,0,14.589,0,1,0,-11.593,0,0,1,-8.1901

> view matrix models
> #5,0.89697,-0.44208,0.0016508,179.71,0.44208,0.89698,0.00035028,-114.38,-0.0016355,0.00041557,1,-10.232,#6,0.99996,-0.0091902,0.0017367,18.707,0.009191,0.99996,-0.00048149,-15.26,-0.0017322,0.00049743,1,-0.76868,#1,1,0,0,15.727,0,1,0,-12.159,0,0,1,-2.5011

> ui mousemode right zoom

> select clear

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/Lateral_panelA_wMap.cxs
> includeMaps true

> surface dust #1.1 size 10.6

> surface dust #1.2 size 10.6

> save PanelA.tif supersample 4 transparentBackground true

> save PanelA.tif supersample 4

> volume #1.1 color #b2b2b24d

> volume #1.2 color #b2b2b24d

> save PanelA.tif supersample 4

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/Lateral_panelA_wMap.cxs

> volume #1.1 level 0.06963

> volume #1.1 level 0.1275

> volume #1.2 level 0.1349

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/PF2.pdb
> models #5

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/PF1.pdb
> models #6

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/lateral_interface_obBeta.cxs

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/lateral_interface_obBeta.cxs
> includeMaps true

> volume #1.2 level 0.04395

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/lateral_interface_obBeta.cxs

> cd
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New

Current working directory is:
/Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New  

> save lateral_interface_beta.tif supersample 4

> volume #1.1 color #b2b2b233

> volume #1.2 color #b2b2b21a

> volume #1.1 color #b2b2b21a

> save lateral_interface_beta.tif supersample 4

[Repeated 1 time(s)]

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/lateral_interface_obBeta.cxs
> includeMaps true

——— End of log from Mon Oct 2 13:45:49 2023 ———

opened ChimeraX session  

> save lateral_interface_beta.tif supersample 4

[Repeated 1 time(s)]

> select /Q :216,88

34 atoms, 30 bonds, 4 residues, 2 models selected  

> show sel atoms

> color sel byhetero

> select #6/Q:281

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #5/Q:87

7 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> select add #6/Q:281

19 atoms, 19 bonds, 2 residues, 2 models selected  

> color sel byhetero

> select /Q :278

12 atoms, 10 bonds, 2 residues, 2 models selected  

> show sel atoms

> color sel byhetero

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/lateral_interface_obBeta_esid.cxs

> select /Q :190,85

42 atoms, 42 bonds, 4 residues, 2 models selected  

> show sel atoms

> select /Q :85

22 atoms, 22 bonds, 2 residues, 2 models selected  

> select /Q :190

20 atoms, 20 bonds, 2 residues, 2 models selected  

> select /Q :90,85

44 atoms, 44 bonds, 4 residues, 2 models selected  

> show sel atoms

> color sel byhetero

> select /Q :58

18 atoms, 16 bonds, 2 residues, 2 models selected  

> show sel atoms

> color sel byhetero

> select /Q :5

14 atoms, 12 bonds, 2 residues, 2 models selected  

> select /Q :55

14 atoms, 12 bonds, 2 residues, 2 models selected  

> show sel atoms

> color sel byhetero

> select /Q :280

18 atoms, 16 bonds, 2 residues, 2 models selected  

> show sel atoms

> show #!1.1 models

> color sel byhetero

> ui tool show Rotamers

> swapaa interactive sel GLN rotLib Dunbrack

TSA_MT_GMPCP_FINAL.pdb #5/Q GLN 280: phi -70.0, psi -41.0 trans  
Changed 648 bond radii  
TSA_MT_GMPCP_FINAL.pdb #6/Q GLN 280: phi -70.0, psi -41.0 trans  
Changed 648 bond radii  
No rotamers selected. Click the 'Calculate' button (not 'OK') to add a column
to the table.  

> swapaa interactive sel GLN rotLib Dunbrack

TSA_MT_GMPCP_FINAL.pdb #!5/Q GLN 280: phi -70.0, psi -41.0 trans  
Changed 648 bond radii  
TSA_MT_GMPCP_FINAL.pdb #!6/Q GLN 280: phi -70.0, psi -41.0 trans  
Changed 648 bond radii  

> swapaa interactive sel GLN rotLib Dunbrack

TSA_MT_GMPCP_FINAL.pdb #!5/Q GLN 280: phi -70.0, psi -41.0 trans  
Changed 648 bond radii  
TSA_MT_GMPCP_FINAL.pdb #!6/Q GLN 280: phi -70.0, psi -41.0 trans  
Changed 648 bond radii  

> undo

Undo failed, probably because structures have been modified.  

> hide sel atoms

> select #1.1

4 models selected  

> ui tool show Rotamers

> select #1.1

4 models selected  

> select #!6/Q:280

9 atoms, 8 bonds, 1 residue, 1 model selected  

> ui tool show Rotamers

> swapaa interactive sel GLN rotLib Dunbrack

TSA_MT_GMPCP_FINAL.pdb #6/Q GLN 280: phi -70.0, psi -41.0 trans  
Changed 648 bond radii  

> swapaa #!6/Q:280 GLN criteria 1 rotLib Dunbrack retain false

Using Dunbrack library  
TSA_MT_GMPCP_FINAL.pdb #!6/Q GLN 280: phi -70.0, psi -41.0 trans  
Applying GLN rotamer (chi angles: -69.0 176.9 -24.5) to TSA_MT_GMPCP_FINAL.pdb
#!6/Q GLN 280  

> show sel atoms

[Repeated 1 time(s)]

> select #6/Q:280

9 atoms, 8 bonds, 1 residue, 1 model selected  

> ui tool show Rotamers

> swapaa interactive sel GLN rotLib Dunbrack

TSA_MT_GMPCP_FINAL.pdb #6/Q GLN 280: phi -70.0, psi -41.0 trans  
Changed 648 bond radii  

> swapaa #!6/Q:280 GLN criteria 1 rotLib Dunbrack retain false

Using Dunbrack library  
TSA_MT_GMPCP_FINAL.pdb #!6/Q GLN 280: phi -70.0, psi -41.0 trans  
Applying GLN rotamer (chi angles: -69.0 176.9 -24.5) to TSA_MT_GMPCP_FINAL.pdb
#!6/Q GLN 280  

> select clear

> select #!5/Q:33

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select add #!5/Q:34

11 atoms, 9 bonds, 2 residues, 1 model selected  

> select add #!5/Q:35

18 atoms, 15 bonds, 3 residues, 1 model selected  

> show sel atoms

> color sel byhetero

> select #!5/Q:35

7 atoms, 6 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #!5/Q:33

7 atoms, 6 bonds, 1 residue, 1 model selected  

> ui tool show Rotamers

> swapaa interactive sel THR rotLib Dunbrack

TSA_MT_GMPCP_FINAL.pdb #!5/Q THR 33: phi -62.9, psi -27.2 trans  
Changed 12 bond radii  

> swapaa #!5/Q:33 THR criteria 3 rotLib Dunbrack retain false

Using Dunbrack library  
TSA_MT_GMPCP_FINAL.pdb #!5/Q THR 33: phi -62.9, psi -27.2 trans  
Applying THR rotamer (chi angles: -169.7) to TSA_MT_GMPCP_FINAL.pdb #!5/Q THR
33  

> select clear

> select #6/Q:285

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select clear

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/lateral_interface_obBeta_esid.cxs

> select /Q :90

22 atoms, 22 bonds, 2 residues, 2 models selected  

> select /Q :92,70

36 atoms, 36 bonds, 4 residues, 2 models selected  

> show sel atoms

> show #!1.1 models

> hide #!1.1 models

> show #!1.1 models

> show #!1.2 models

> volume #1.2 level 0.1941

> select :Phe

1848 atoms, 1856 bonds, 168 residues, 2 models selected  

> show sel atoms

> select :Pro

1120 atoms, 1128 bonds, 160 residues, 2 models selected  

> show sel atoms

> select :Tyr

1632 atoms, 1636 bonds, 136 residues, 2 models selected  

> show sel atoms

Drag select of 204 atoms, 179 residues, 188 bonds  

> color sel byhetero

> select clear

> select :Tyr

1632 atoms, 1636 bonds, 136 residues, 2 models selected  

> color sel byhetero

> select :Pro

1120 atoms, 1128 bonds, 160 residues, 2 models selected  

> color sel byhetero

> select :Phe

1848 atoms, 1856 bonds, 168 residues, 2 models selected  

> color sel byhetero

> select :His

920 atoms, 920 bonds, 92 residues, 2 models selected  

> show sel atoms

> select clear

> select add #!5/Q:11

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #!5/Q:15

18 atoms, 16 bonds, 2 residues, 1 model selected  

> hide sel atoms

> select clear

> select add #!5/Q:88

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #6/Q:278

14 atoms, 12 bonds, 2 residues, 2 models selected  

> hide sel atoms

> select #6/Q:280

9 atoms, 8 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select clear

> select add #6/Q:216

9 atoms, 8 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #!5/Q:85

11 atoms, 11 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #!5/Q:69

9 atoms, 8 bonds, 1 residue, 1 model selected  

> color sel byhetero

> select clear

> select #!5/Q:58

9 atoms, 8 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select add #!5/Q:59

21 atoms, 20 bonds, 2 residues, 1 model selected  

> hide sel atoms

> select add #!5/Q:60

28 atoms, 26 bonds, 3 residues, 1 model selected  

> select subtract #!5/Q:60

21 atoms, 20 bonds, 2 residues, 1 model selected  

> select add #!5/Q:60

28 atoms, 26 bonds, 3 residues, 1 model selected  

> select clear

Drag select of 21 atoms, 14 residues, 19 bonds  

> hide sel atoms

> select clear

Drag select of 5 atoms, 3 residues, 5 bonds  

> hide sel atoms

> select clear

Drag select of 5 atoms, 3 residues, 5 bonds  

> hide sel atoms

> select clear

Drag select of 8 atoms, 3 residues, 8 bonds  

> hide sel atoms

> select clear

Drag select of 6 atoms, 10 residues, 7 bonds  

> hide sel atoms

Drag select of 2 atoms, 3 residues, 1 bonds  

> select #!5/Q:143

7 atoms, 6 bonds, 1 residue, 1 model selected  

> hide sel atoms

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/Mloop_Nucleotide_sensing.cxs

Drag select of 3 atoms, 1 residues, 3 bonds  

> hide sel atoms

Drag select of 2 atoms  

> hide sel atoms

> select clear

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Lateral_inter_TSA_bIII_New/Mloop_Nucleotide_sensing.cxs

——— End of log from Mon Oct 2 14:31:26 2023 ———

opened ChimeraX session  

> select #5/Q:73

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> select clear

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Nucleotide_sensing/Mloop_Nucleotide_sensing.cxs

——— End of log from Tue Oct 3 17:01:46 2023 ———

opened ChimeraX session  

> ui tool show "Side View"

> save M-loop_nucleotide_sensing.tif supersample 4 transparentBackground true

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/Nucleotide_sensing/Mloop_Nucleotide_sensing.cxs

——— End of log from Tue Oct 3 17:12:51 2023 ———

opened ChimeraX session  

> show #!1.1 models

> hide #!1.1 models

> show #!1.2 models

> hide #!1.2 models

> select :204

60 atoms, 52 bonds, 8 residues, 2 models selected  

> show sel atoms

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/check_structures/2PF_G2P.pdb

Chain information for 2PF_G2P.pdb #2  
---  
Chain | Description  
A C | No description available  
B D F Q | No description available  
E I | No description available  
  

> select add #2

27506 atoms, 28114 bonds, 4 pseudobonds, 3502 residues, 4 models selected  

> hide sel atoms

> show sel cartoons

> select #2 /C,A

6902 atoms, 7058 bonds, 2 pseudobonds, 880 residues, 2 models selected  

> select #2 /C,A, sel #5 /Q, sel #6 /Q

13730 atoms, 14038 bonds, 2 pseudobonds, 1748 residues, 4 models selected  

> ui tool show Matchmaker

> matchmaker #!2 & sel to #5 & sel

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker TSA_MT_GMPCP_FINAL.pdb, chain Q (#5) with 2PF_G2P.pdb, chain A
(#2), sequence alignment score = 1261.4  
RMSD between 404 pruned atom pairs is 0.622 angstroms; (across all 430 pairs:
1.239)  
  

> select clear

[Repeated 1 time(s)]

> select #2/C:283

10 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 10 atom styles  

> color sel byhetero

> select #2/A:89

7 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> color sel byhetero

> select #2/A:92

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 8 atom styles  

> color sel byhetero

> select #2/A:75

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 8 atom styles  

> color sel byhetero

> select #2/A:94

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> color sel byhetero

> select #2/A:72

7 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> color sel byhetero

> select #2/A:71

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> color sel byhetero

> select :G2P,Mg

272 atoms, 272 bonds, 24 residues, 3 models selected  

> select :G2P,Mg,69-100

4224 atoms, 4304 bonds, 536 residues, 3 models selected  

> select :G2P,Mg,69-100,273-284

5728 atoms, 5824 bonds, 728 residues, 3 models selected  

> ~sel

Unknown command: segmentation ~sel  

> select ~sel

49164 atoms, 50236 bonds, 8 pseudobonds, 6260 residues, 11 models selected  

> hide sel cartoons

> hide sel atoms

> select :274

112 atoms, 104 bonds, 16 residues, 3 models selected  

> hide sel atoms

> hide sel cartoons

> undo

> select :273-274

216 atoms, 208 bonds, 32 residues, 3 models selected  

> hide sel cartoons

Drag select of 5 atoms, 4 residues, 4 bonds  

> hide sel atoms

> hide sel cartoons

Drag select of 2 residues  

> hide sel cartoons

Drag select of 2 atoms, 2 residues, 1 bonds  

> hide sel atoms

> select clear

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/E-side_linkage/a-b-
> E-site_lateral.cxs

> select /Q

10242 atoms, 10470 bonds, 1302 residues, 3 models selected  

> ui tool show "Color Actions"

> color sel green

> undo

> select #6 '/Q

incomplete quoted text  

> select #6 /Q

3414 atoms, 3490 bonds, 434 residues, 1 model selected  

> color sel blue

> color sel byhetero

> select #2 /C

3451 atoms, 3529 bonds, 1 pseudobond, 440 residues, 2 models selected  

> color sel green

> color (#!2 & sel) byhetero

> select #2 /A

3451 atoms, 3529 bonds, 1 pseudobond, 440 residues, 2 models selected  

> color sel dark sea green

> select #5 /Q

3414 atoms, 3490 bonds, 434 residues, 1 model selected  

> color sel sky blue

> color sel byhetero

> select #2 /A

3451 atoms, 3529 bonds, 1 pseudobond, 440 residues, 2 models selected  

> color (#!2 & sel) byhetero

> lighting simple

> lighting soft

> select clear

> select #2/A:69

8 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel cartoons

Drag select of 5 residues  

> show sel atoms

> style sel stick

Changed 51 atom styles  

> undo

[Repeated 1 time(s)]

> select #2/A:78

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select clear

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/E-side_linkage/a-b-
> E-site_lateral.cxs

——— End of log from Tue Oct 17 11:36:42 2023 ———

opened ChimeraX session  
Drag select of 118 atoms, 76 residues, 112 bonds  

> show #!1.1 models

> show #!1.2 models

> ui tool show "Surface Zone"

> surface zone #1.1 nearAtoms sel distance 6.36

> surface zone #1.2 nearAtoms sel distance 6.36

> surface zone #1.2 nearAtoms sel distance 6.9

> surface zone #1.2 nearAtoms sel distance 1.94

> surface zone #1.1 nearAtoms sel distance 5.96

> surface zone #1.1 nearAtoms sel distance 2.43

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/E-side_linkage/a-b-
> E-site_lateral.cxs includeMaps true

> select clear

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/E-side_linkage/a-b-
> E-site_lateral.cxs

——— End of log from Tue Oct 17 11:39:56 2023 ———

opened ChimeraX session  
Drag select of 6 residues  

> hide sel cartoons

Drag select of 2 atoms, 4 residues, 1 bonds  

> select clear

Drag select of 2 atoms, 4 residues, 1 bonds  

> hide sel cartoons

Drag select of 9 atoms, 8 bonds  

> hide sel cartoons

> hide sel atoms

> select clear

> save E-site_network.tif supersample 4 transparentBackground true

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/E-side_linkage/a-b-
> E-site_lateral.cxs

> save E-site_network.tif supersample 4 transparentBackground true

[Repeated 1 time(s)]

> vwd

Unknown command: vwd  

> vdw

Unknown command: vdw  

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/E-side_linkage/test_G2P.pdb
> models #5

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/E-side_linkage/test_GDP.pdb
> models #2 relModel #5

> select #5 /Q, sel #2 /A

6865 atoms, 7019 bonds, 1 pseudobond, 874 residues, 3 models selected  

> select #5 /Q, sel #2 /A,C, sel #6 /Q

13730 atoms, 14038 bonds, 2 pseudobonds, 1748 residues, 4 models selected  

> select ~sel

41162 atoms, 42086 bonds, 6 pseudobonds, 5240 residues, 11 models selected  

> delete sel

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/E-side_linkage/testG2P.pdb
> models #2

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/E-side_linkage/testG2P1.pdb
> models #5 relModel #2

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/E-side_linkage/testG2P2.pdb
> models #6 relModel #2

> select #5/Q:90

11 atoms, 11 bonds, 1 residue, 1 model selected  

> rmsd

Missing or invalid "atoms" argument: empty atom specifier  

> close session

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/check_structures/for_Antonina/Aligned_on221-227_10-20/bAli_GDP.pdb

Chain information for bAli_GDP.pdb #1  
---  
Chain | Description  
A | No description available  
E | No description available  
  

> open
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/check_structures/for_Antonina/Aligned_on221-227_10-20/bAli_GMPCPP.pdb

Chain information for bAli_GMPCPP.pdb #2  
---  
Chain | Description  
A | No description available  
Q | No description available  
  

> set bgColor white

> select /E :221-227,:10-20, sel /Q :221-227, sel :10-20

Expected a keyword  

> select /E :221-227,:10-20, sel /Q :221-227,sel :10-20

Expected a keyword  

> select /E :221-227,:10-20, sel /Q :221-227,:10-20

Expected a keyword  

> select /E :221-227, sel /E :10-20, sel /Q :221-227, sel /Q :10-20

268 atoms, 270 bonds, 36 residues, 2 models selected  

> matchmaker sel showAlignment true

Missing required "to" argument  

> matchmaker sel to sel showAlignment true

Specify a single 'to' model only  

> matchmaker sel to #1 showAlignment true

Must use different reference and match structures  

> matchmaker sel to #0 showAlignment true

No 'to' model specified  

> select /E :221-227, sel /E :10-20, sel /Q :221-227, sel /Q :10-20

268 atoms, 270 bonds, 36 residues, 2 models selected  

> matchmaker sel showAlignment true

Missing required "to" argument  

> matchmaker sel showAlignment true

Missing required "to" argument  

> matchmaker sel to sel showAlignment true

Specify a single 'to' model only  

> select /E :221-227, sel /E :10-20

134 atoms, 135 bonds, 18 residues, 1 model selected  

> matchmaker sel to #1 sel showAlignment true

Expected a keyword  

> matchmaker sel to #1 showAlignment true

Must use different reference and match structures  

> matchmaker sel to #2 showAlignment true

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker bAli_GMPCPP.pdb, chain Q (#2) with bAli_GDP.pdb, chain E (#1),
sequence alignment score = 104.6  
Alignment identifier is 1  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 1  
Hiding conservation header for alignment 1  
Chains used in RMSD evaluation for alignment 1: bAli_GDP.pdb #1/E,
bAli_GMPCPP.pdb #2/Q  
Showing rmsd header ("seq_rmsd" residue attribute) for alignment 1  
RMSD between 18 pruned atom pairs is 0.232 angstroms; (across all 18 pairs:
0.232)  
  

> select /E :221-227, sel /E :10-20, sel /Q :221-227, sel /Q :10-20

268 atoms, 270 bonds, 36 residues, 2 models selected  

> matchmaker sel to sel showAlignment true

Specify a single 'to' model only  

> matchmaker sel to #2 sel showAlignment true

Expected a keyword  

> matchmaker sel to #2 showAlignment true

Must use different reference and match structures  

> matchmaker sel to #1 showAlignment true

Must use different reference and match structures  

> matchmaker sel to #1 showAlignment true

Must use different reference and match structures  

> select /E :221-227, sel /E :10-20

134 atoms, 135 bonds, 18 residues, 1 model selected  

> matchmaker sel to #2 showAlignment true

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker bAli_GMPCPP.pdb, chain Q (#2) with bAli_GDP.pdb, chain E (#1),
sequence alignment score = 104.6  
Alignment identifier is 1  
Showing conservation header ("seq_conservation" residue attribute) for
alignment 1  
Hiding conservation header for alignment 1  
Chains used in RMSD evaluation for alignment 1: bAli_GDP.pdb #1/E,
bAli_GMPCPP.pdb #2/Q  
Showing rmsd header ("seq_rmsd" residue attribute) for alignment 1  
RMSD between 18 pruned atom pairs is 0.232 angstroms; (across all 18 pairs:
0.232)  
  

> lighting soft

> ui tool show "Render By Attribute"

> color byattribute r:seq_rmsd #!1-2 target sabc palette
> 0.0540825,#0fc7cf:1,white:2,#9e205e

13705 atoms, 1746 residues, atom seq_rmsd range 0.0541 to 3.45  

> key cyan-white-maroon :0.05 :1.00 :2.00 showTool true

> ui mousemode right "color key"

> ui mousemode right zoom

> save
> /Users/zehrea/Documents/Lab_work/Papers/2023/JBM_acceletated_forTTLL6_submission/Figure3/NEW/Longitudinal_interface/E-site_aliON221-227_10-20.cxs

> select /A

6894 atoms, 7050 bonds, 2 pseudobonds, 879 residues, 4 models selected  

> delete atoms (#!1-2 & sel)

> delete bonds (#!1-2 & sel)

> hide (protein|nucleic) target a

> cartoon hide

> show ((protein&@ca)|(nucleic&@p)) target ab

> color byattribute r:seq_rmsd #!1-2 target sabc palette
> 0.0540825,#0fc7cf:1,#b2b2b2:2,#9e205e

6811 atoms, 867 residues, atom seq_rmsd range 0.0541 to 3.45  

> color byattribute r:seq_rmsd #!1-2 target sabc palette
> 0.0540825,#0fc7cf:1,#b2b2b2:2,#9e205e

6811 atoms, 867 residues, atom seq_rmsd range 0.0541 to 3.45  

> key cyan-gray-maroon :0.05 :1.00 :2.00 showTool true

> ui mousemode right "color key"

> ui mousemode right zoom

> key cyan-gray-maroon :0.05 :1.00 :2.00 showTool true

> ui mousemode right "color key"

> key fontSize 8

> key size 0.24000,0.05000

> key size 0.23000,0.05000

> key size 0.22000,0.05000

> key size 0.21000,0.05000

[Repeated 1 time(s)]

> key size 0.2,0.05000

> key size 0.0000,0.05000

> key size 0.01000,0.05000

> key size 0.02000,0.05000

> key size 0.03000,0.05000

> key size 0.04000,0.05000

> key size 0.05000,0.05000

> key size 0.06000,0.05000

> key size 0.07000,0.05000

> key size 0.08000,0.05000

> key size 0.09000,0.05000

> key size 0.10000,0.05000

> key size 0.11000,0.05000

> key size 0.12000,0.05000

> key size 0.13000,0.05000

> key size 0.14000,0.05000

> key size 0.15000,0.05000

> key size 0.16000,0.05000

> key size 0.17000,0.05000

> key size 0.18000,0.05000

> key size 0.19000,0.05000

> key size 0.20000,0.05000

> key size 0.21000,0.05000

> key size 0.22000,0.05000

> key size 0.23000,0.05000

> key size 0.23000,0.04000

> key size 0.23000,0.03000

> key fontSize 9

> key fontSize 10

> key fontSize 11

> key fontSize 12

> key fontSize 13

> key fontSize 14

> key fontSize 15

> key fontSize 16

> key fontSize 17

> key fontSize 18

> key fontSize 19

> key fontSize 20

> ui tool show "Side View"

> key pos 0.779489,0.631352 size 0.0215485,0.0790633

> key pos 0.838187,0.0773591 size 0.0424795,0.32497

> ui mousemode right zoom

> ui tool show "Render By Attribute"

Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 756, in _set_value_cb  
self._redraw_cb()  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 646, in _redraw_cb  
self._bins = left + filled_bins + right  
ValueError: operands could not be broadcast together with shapes (4,) (297,)  
  
ValueError: operands could not be broadcast together with shapes (4,) (297,)  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 646, in _redraw_cb  
self._bins = left + filled_bins + right  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 179, in <lambda>  
if event.modifiers() & mod_key_info("shift")[0] else
self._select_marker_cb(event)  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 714, in _select_marker_cb  
self._set_sel_marker(marker, drag_start=event)  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 743, in _set_sel_marker  
self._last_mouse_xy = self._abs_xy((drag_start.scenePos().x(),
drag_start.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 179, in <lambda>  
if event.modifiers() & mod_key_info("shift")[0] else
self._select_marker_cb(event)  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 714, in _select_marker_cb  
self._set_sel_marker(marker, drag_start=event)  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 743, in _set_sel_marker  
self._last_mouse_xy = self._abs_xy((drag_start.scenePos().x(),
drag_start.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 179, in <lambda>  
if event.modifiers() & mod_key_info("shift")[0] else
self._select_marker_cb(event)  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 714, in _select_marker_cb  
self._set_sel_marker(marker, drag_start=event)  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 743, in _set_sel_marker  
self._last_mouse_xy = self._abs_xy((drag_start.scenePos().x(),
drag_start.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 760, in _set_value_cb  
self._move_cur_marker(v)  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 570, in _move_cur_marker  
self._active_markers._update_plot()  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 1222, in _update_plot  
self._update_marker_coordinates()  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 1207, in
_update_marker_coordinates  
x, y = self._scene_xy(m.xy)  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 1090, in _scene_xy  
return self.histogram._scene_xy(abs_xy)  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 512, in _scene_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 512, in _scene_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 179, in <lambda>  
if event.modifiers() & mod_key_info("shift")[0] else
self._select_marker_cb(event)  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 714, in _select_marker_cb  
self._set_sel_marker(marker, drag_start=event)  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 743, in _set_sel_marker  
self._last_mouse_xy = self._abs_xy((drag_start.scenePos().x(),
drag_start.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 180, in <lambda>  
self._hist_scene.mouseMoveEvent = lambda event: self._move_marker_cb(event) \  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 576, in _move_marker_cb  
mouse_xy = self._abs_xy((event.scenePos().x(), event.scenePos().y()))  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
TypeError: object of type 'function' has no len()  
  
TypeError: object of type 'function' has no len()  
  
File
"/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/widgets/histogram.py", line 441, in _abs_xy  
num_bins = len(self._bins)  
  
See log for complete Python traceback.  
  




OpenGL version: 4.1 Metal - 83.1
OpenGL renderer: Apple M2 Pro
OpenGL vendor: Apple

Python: 3.9.11
Locale: UTF-8
Qt version: PyQt6 6.4.2, Qt 6.4.2
Qt runtime version: 6.4.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: Mac14,10
      Model Number: Z175000ZKLL/A
      Chip: Apple M2 Pro
      Total Number of Cores: 12 (8 performance and 4 efficiency)
      Memory: 32 GB
      System Firmware Version: 8422.141.2
      OS Loader Version: 8422.141.2

Software:

    System Software Overview:

      System Version: macOS 13.5.2 (22G91)
      Kernel Version: Darwin 22.6.0
      Time since boot: 3 days, 14 hours, 48 minutes

Graphics/Displays:

    Apple M2 Pro:

      Chipset Model: Apple M2 Pro
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 19
      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: 0.7.13
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.2.1
    Babel: 2.12.1
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    build: 0.10.0
    certifi: 2021.10.8
    cftime: 1.6.2
    charset-normalizer: 3.1.0
    ChimeraX-AddCharge: 1.5.9.1
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.3.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.9.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.3
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.43.10
    ChimeraX-AtomicLibrary: 10.0.6
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3.2
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.1
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.8
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.2
    ChimeraX-ChangeChains: 1.0.2
    ChimeraX-CheckWaters: 1.3.1
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-Clipper: 0.21.0
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.3
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.6.1
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.4.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4
    ChimeraX-DockPrep: 1.1.1
    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: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.1
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ISOLDE: 1.6.0
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-Label: 1.1.7
    ChimeraX-ListInfo: 1.1.1
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.2
    ChimeraX-Map: 1.1.4
    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: 2.0.12
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.9
    ChimeraX-ModelPanel: 1.3.7
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.0
    ChimeraX-NRRD: 1.0
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.10.1
    ChimeraX-PDB: 2.7.2
    ChimeraX-PDBBio: 1.0
    ChimeraX-PDBLibrary: 1.0.2
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-PICKLUSTER: 0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 3.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.1
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.8.3
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.1
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.10.3
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1.2
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.2.1
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.1
    ChimeraX-Topography: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.28.4
    ChimeraX-uniprot: 2.2.2
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.1
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.1.3
    contourpy: 1.0.7
    cxservices: 1.2.2
    cycler: 0.11.0
    Cython: 0.29.33
    debugpy: 1.6.7
    decorator: 5.1.1
    docutils: 0.19
    executing: 1.2.0
    filelock: 3.9.0
    fonttools: 4.39.3
    funcparserlib: 1.0.1
    grako: 3.16.5
    h5py: 3.8.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.35
    imagecodecs: 2022.2.22
    imagesize: 1.4.1
    importlib-metadata: 6.6.0
    ipykernel: 6.21.1
    ipython: 8.10.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.0.6
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.0.2
    jupyter-core: 5.3.0
    jupyterlab-widgets: 3.0.7
    kiwisolver: 1.4.4
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.2
    matplotlib: 3.6.3
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.6
    netCDF4: 1.6.2
    networkx: 2.8.8
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.4
    numpy: 1.23.5
    openvr: 1.23.701
    packaging: 21.3
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pexpect: 4.8.0
    pickleshare: 0.7.5
    Pillow: 9.3.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 3.5.0
    prompt-toolkit: 3.0.38
    psutil: 5.9.4
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.14.0
    pynrrd: 1.0.0
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.4.2
    PyQt6-Qt6: 6.4.3
    PyQt6-sip: 13.4.1
    PyQt6-WebEngine-commercial: 6.4.0
    PyQt6-WebEngine-Qt6: 6.4.3
    python-dateutil: 2.8.2
    pytz: 2023.3
    pyzmq: 25.0.2
    qtconsole: 5.4.0
    QtPy: 2.3.1
    RandomWords: 0.4.0
    requests: 2.28.2
    scipy: 1.9.3
    setuptools: 67.4.0
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.4.1
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.4
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.1
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.7.0
    tcia-utils: 1.2.0
    tifffile: 2022.10.10
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.3.1
    traitlets: 5.9.0
    typing-extensions: 4.5.0
    tzdata: 2023.3
    urllib3: 1.26.15
    wcwidth: 0.2.6
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.7
    zipp: 3.15.0

Change History (2)

comment:1 by Tom Goddard, 2 years ago

Component: UnassignedDepiction
Owner: set to pett
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionRender by attribute: TypeError: object of type 'function' has no len()

This ChimeraX Render by Attribute bug was fixed 3 months ago (after the ChimeraX 1.6.1 release), ticket #9328. It is fixed in the current ChimeraX daily build.

comment:2 by Tom Goddard, 2 years ago

Resolution: duplicate
Status: assignedclosed
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