﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
8544	ISOLDE: after session restore 'mgr' is None	chimerax-bug-report@…	Tristan Croll	"{{{
The following bug report has been submitted:
Platform:        macOS-10.16-x86_64-i386-64bit
ChimeraX Version: 1.5 (2022-11-24 00:03:27 UTC)
Description
(Describe the actions that caused this problem to occur here)

Log:
UCSF ChimeraX version: 1.5 (2022-11-24)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/MacBookPro/LTAg_ADP-CGfork_ISOLDE-3.cxs

Opened P21_J80_009_volume_map_deepEMhanced-highRes.mrc as #1.1.1.1, grid size
384,384,384, pixel 0.835, shown at level 0.0292, step 1, values float32  
Opened P21_J80_009_volume_map_deepEMhanced.mrc as #3, grid size 384,384,384,
pixel 0.835, shown at level 0.0514, step 1, values float32  
Restoring stepper: LTAg_ADP-CGfork_ISOLDE-2-6ADP.pdb  
Log from Tue Feb 21 19:02:33 2023UCSF ChimeraX version: 1.5 (2022-11-24)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open /Users/ts387/Documents/Work/Modelling/LTAg_ADP-CGfork/LTAg_ADP-
> CGfork_ISOLDE-3.cxs

Opened P21_J80_009_volume_map_deepEMhanced-highRes.mrc as #1.1.1.1, grid size
384,384,384, pixel 0.835, shown at level 0.0128, step 1, values float32  
Opened P21_J80_009_volume_map_deepEMhanced.mrc as #3, grid size 384,384,384,
pixel 0.835, shown at level 0.0674, step 1, values float32  
Restoring stepper: LTAg_ADP-CGfork_ISOLDE-2-6ADP.pdb  
Log from Mon Feb 20 20:35:10 2023

> ui tool show ""Hide Dust""

UCSF ChimeraX version: 1.5 (2022-11-24)  
© 2016-2022 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> isolde start

> set selectionWidth 4

Populating font family aliases took 329 ms. Replace uses of missing font
family ""Carlito"" with one that exists to avoid this cost.  

> open /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/ISOLDE-2_Rsr/LTAg_ADP-CGfork_ISOLDE-2-6ADP.pdb format pdb

Chain information for LTAg_ADP-CGfork_ISOLDE-2-6ADP.pdb #1  
---  
Chain | Description  
A D | No description available  
B C E F | No description available  
M | No description available  
  

> style stick

Changed 36010 atom styles  

> color bychain

> color byhetero

> hide atoms

> show cartoons

> select ::name=""ADP""

234 atoms, 246 bonds, 6 residues, 1 model selected  

> show sel target ab

> open /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/P21_J80_009_volume_map_deepEMhanced-highRes.mrc format mrc

Opened P21_J80_009_volume_map_deepEMhanced-highRes.mrc as #2, grid size
384,384,384, pixel 0.835, shown at level 0.00113, step 2, values float32  

> surface dust #2 size 10.02

> color #2 #b2b2b23d models

> color #2 #b2b2b240 models

> volume #2 level 0.03954

> volume #2 level 0.05235

> volume #2 step 1

> volume #2 level 0.06303

> volume #2 style mesh

> volume #2 color #b2b2b2

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
Chain information for LTAg_ADP-CGfork_ISOLDE-2-6ADP.pdb  
---  
Chain | Description  
1.2/A 1.2/D | No description available  
1.2/B 1.2/C 1.2/E 1.2/F | No description available  
1.2/M | No description available  
  

> clipper associate #2 toModel #1

Opened P21_J80_009_volume_map_deepEMhanced-highRes.mrc as #1.1.1.1, grid size
384,384,384, pixel 0.835, shown at step 1, values float32  
Loading residue template for ADP from internal database  

> save /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/MacBookPro/LTAg_ADP-CGfork_ISOLDE-3.cxs includeMaps true

> ui tool show ""Ramachandran Plot""

> isolde restrain ligands #1

> save /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/MacBookPro/LTAg_ADP-CGfork_ISOLDE-3.cxs includeMaps true

> view #1.2/B:431

> volume #1.1.1.1 level 0.05647

> volume #1.1.1.1 level 0.0151

> view #1.2/A:431

> view #1.2/F:431

> save /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/MacBookPro/LTAg_ADP-CGfork_ISOLDE-3.cxs includeMaps true

> select #1

36010 atoms, 36389 bonds, 2187 residues, 15 models selected  

> open /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/ModelAngelo/deepEMhanced-highRes/model.cif

Summary of feedback from opening
/Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
CGfork/ModelAngelo/deepEMhanced-highRes/model.cif  
---  
warnings | Missing entity information. Treating each chain as a separate
entity.  
Missing or incomplete entity_poly_seq table. Inferred polymer connectivity.  
  
Chain information for model.cif #2  
---  
Chain | Description  
Aa | No description available  
Ab | No description available  
Ac | No description available  
Ad | No description available  
Ae | No description available  
Af | No description available  
Ag | No description available  
Ah | No description available  
Ai | No description available  
  

> select add #1

36010 atoms, 36389 bonds, 2187 residues, 15 models selected  

> select add #1

36010 atoms, 36389 bonds, 2187 residues, 15 models selected  

> select clear

> select add #2

14777 atoms, 15066 bonds, 14 pseudobonds, 1820 residues, 2 models selected  

> style sel stick

Changed 14777 atom styles  

> color sel bychain

> color sel byhetero

> select subtract #2

Nothing selected  

> open /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/P21_J80_009_volume_map_deepEMhanced.mrc

Opened P21_J80_009_volume_map_deepEMhanced.mrc as #3, grid size 384,384,384,
pixel 0.835, shown at level 9.44e-05, step 2, values float32  

> surface dust #3 size 5.01

> volume #3 level 0.03222

> hide #!2 models

> show #!3 models

> volume #3 level 0.03936

> volume #3 step 1

> volume #3 color #ffffb245

> volume #3 color #ffffb240

> volume #3 level 0.07938

> volume #3 level 0.04736

> volume #3 style mesh

> volume #3 color #ffffb2

> hide #!3 models

> save /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/MacBookPro/LTAg_ADP-CGfork_ISOLDE-3.cxs includeMaps true

> select #1

36010 atoms, 36389 bonds, 2187 residues, 15 models selected  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde sim pause

> isolde sim resume

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> isolde sim pause

> isolde sim resume

> select clear

[Repeated 1 time(s)]

> isolde sim pause

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 11 residues in model #1.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> hide #!2 models

> save /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/MacBookPro/LTAg_ADP-CGfork_ISOLDE-3.cxs includeMaps true

Taking snapshot of stepper: LTAg_ADP-CGfork_ISOLDE-2-6ADP.pdb  

> show #!2 models

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> hide #!2 models

> show #!2 models

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> select clear

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> select clear

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> select clear

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> select clear

[Repeated 1 time(s)]

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> select clear

[Repeated 1 time(s)]

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> volume #1.1.1.1 level 0.02228

> volume #3 level 0.02735

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> volume #3 level 0.03535

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> select clear

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> select clear

> volume #3 level 0.03936

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> select clear

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> select clear

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> save /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/MacBookPro/LTAg_ADP-CGfork_ISOLDE-3.cxs includeMaps true

Taking snapshot of stepper: LTAg_ADP-CGfork_ISOLDE-2-6ADP.pdb  

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> volume #1.1.1.1 level 0.002486

> hide #!2 models

> volume #3 level 0.02735

> isolde sim start sel

ISOLDE: started sim  

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> volume #3 level 0.007337

> volume #1.1.1.1 level 0.009084

> select clear

> isolde sim start sel

ISOLDE: started sim  

> show #!2 models

> volume #1.1.1.1 level 0.009084

> hide #!2 models

> volume #1.1.1.1 level 0.05527

> volume #3 level 0.06737

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> select clear

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

[Repeated 1 time(s)]

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> volume #1.1.1.1 level -0.0008131

> volume #1.1.1.1 level 0.04208

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> volume #1.1.1.1 level 0.01285

> hide #!2 models

> isolde sim start sel

ISOLDE: started sim  

> show #!2 models

> hide #!2 models

> show #!2 models

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> save /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/MacBookPro/LTAg_ADP-CGfork_ISOLDE-3.cxs includeMaps true

Taking snapshot of stepper: LTAg_ADP-CGfork_ISOLDE-2-6ADP.pdb  

> save /Users/tahashahid/Documents/Work/Modelling/LTAg_ADP-
> CGfork/MacBookPro/LTAg_ADP-CGfork_ISOLDE-3.cxs includeMaps true

Taking snapshot of stepper: LTAg_ADP-CGfork_ISOLDE-2-6ADP.pdb  

——— End of log from Mon Feb 20 20:35:10 2023 ———

opened ChimeraX session  

> isolde start

> set selectionWidth 4

Populating font family aliases took 273 ms. Replace uses of missing font
family ""Carlito"" with one that exists to avoid this cost.  

> ui tool show ""Ramachandran Plot""

> isolde sim start sel

ISOLDE: started sim  

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

Loading residue template for ADP from internal database  
ISOLDE: started sim  

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> volume #1.1.1.1 level 0.06233

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> hide #!2 models

> isolde sim start sel

ISOLDE: started sim  

> volume #1.1.1.1 level 0.02274

> volume #1.1.1.1 level 0.1052

> select clear

[Repeated 3 time(s)]

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> save /Users/ts387/Documents/Work/Modelling/LTAg_ADP-CGfork/LTAg_ADP-
> CGfork_ISOLDE-3.cxs includeMaps true

Taking snapshot of stepper: LTAg_ADP-CGfork_ISOLDE-2-6ADP.pdb  

> open /Users/ts387/Documents/Work/Modelling/LTAg_ADP-
> CGfork/ModelAngelo/deepEMhanced/model.cif

Summary of feedback from opening
/Users/ts387/Documents/Work/Modelling/LTAg_ADP-
CGfork/ModelAngelo/deepEMhanced/model.cif  
---  
warnings | Missing entity information. Treating each chain as a separate
entity.  
Missing or incomplete entity_poly_seq table. Inferred polymer connectivity.  
  
Chain information for model.cif #4  
---  
Chain | Description  
Aa | No description available  
Ab | No description available  
Ac | No description available  
Ad | No description available  
Ae | No description available  
Af | No description available  
Ag | No description available  
Ah | No description available  
  

> select clear

> select add #4

14434 atoms, 14710 bonds, 18 pseudobonds, 1779 residues, 2 models selected  

> style sel stick

Changed 14434 atom styles  

> color sel bychain

> color sel byhetero

> select subtract #4

Nothing selected  

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> hide #!4 models

> show #!2 models

> show #!4 models

> hide #!4 models

> hide #!2 models

> select clear

> isolde sim start sel

ISOLDE: started sim  

> select clear

> volume #1.1.1.1 level 0.06563

> select clear

> volume #1.1.1.1 level 0.02274

> volume #1.1.1.1 level 0.02604

> volume #1.1.1.1 level 0.04584

> isolde sim pause

> isolde sim resume

> show #!2 models

> hide #!2 models

> show #!4 models

> hide #!4 models

> show #!2 models

> hide #!2 models

> show #!4 models

> select clear

> hide #!4 models

> volume #1.1.1.1 level 0.01944

> volume #3 level 0.03535

> select clear

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> show #!2 models

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> show #!4 models

> isolde sim start sel

ISOLDE: started sim  

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

[Repeated 2 time(s)]

> hide #!4 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> volume #1.1.1.1 level 0.09937

> volume #1.1.1.1 level 0.05633

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> show #!2 models

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> hide #!2 models

> show #!4 models

> hide #!4 models

> isolde sim start sel

ISOLDE: started sim  

> select clear

> volume #1.1.1.1 level 0.02252

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> show #!2 models

> select clear

> isolde sim pause

> isolde sim resume

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> show #!4 models

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> hide #!4 models

> hide #!2 models

> isolde sim start sel

ISOLDE: started sim  

> show #!2 models

> hide #!2 models

> show #!2 models

> show #!4 models

> hide #!4 models

> hide #!2 models

> show #!2 models

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> hide #!2 models

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> show #!2 models

> isolde sim start sel

ISOLDE: started sim  

> show #!4 models

> hide #!4 models

> hide #!2 models

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> show #!2 models

> hide #!2 models

> show #!4 models

> hide #!4 models

> isolde sim start sel

ISOLDE: started sim  

> select clear

[Repeated 1 time(s)]

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> volume #1.1.1.1 level 0.07785

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> show #!2 models

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> volume #1.1.1.1 level 0.01022

> volume #3 level 0.1154

> isolde pepflip sel

Flipping the peptide bond for 1 residues  

> volume #3 level 0.05136

> volume #1.1.1.1 level 0.05941

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> volume #1.1.1.1 level 0.02924

> isolde sim start sel

ISOLDE: started sim  

> hide #!2 models

> show #!2 models

> show #!4 models

> hide #!4 models

> hide #!2 models

> show #!2 models

> show #!4 models

> hide #!4 models

> hide #!2 models

> show #!2 models

> show #!4 models

> hide #!4 models

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> save /Users/ts387/Documents/Work/Modelling/LTAg_ADP-CGfork/LTAg_ADP-
> CGfork_ISOLDE-3.cxs includeMaps true

Taking snapshot of stepper: LTAg_ADP-CGfork_ISOLDE-2-6ADP.pdb  

> isolde sim start sel

ISOLDE: started sim  

> isolde sim stop discardTo start

reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start sel

ISOLDE: started sim  

> select clear

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> select clear

> hide #!2 models

> isolde sim start sel

ISOLDE: started sim  

> select clear

> show #!2 models

> show #!4 models

> hide #!4 models

> isolde sim stop

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> save /Users/ts387/Documents/Work/Modelling/LTAg_ADP-CGfork/LTAg_ADP-
> CGfork_ISOLDE-3.cxs includeMaps true

Taking snapshot of stepper: LTAg_ADP-CGfork_ISOLDE-2-6ADP.pdb  

——— End of log from Tue Feb 21 19:02:33 2023 ———

opened ChimeraX session  
Traceback (most recent call last):  
File
""/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/triggerset.py"", line 134, in invoke  
return self._func(self._name, data)  
File ""/Users/tahashahid/Library/Application Support/ChimeraX/1.5/site-
packages/chimerax/isolde/molobject.py"", line 1790, in _get_and_process_changes  
return self._process_changes(changes)  
File ""/Users/tahashahid/Library/Application Support/ChimeraX/1.5/site-
packages/chimerax/isolde/molobject.py"", line 1778, in _process_changes  
mgr.triggers.activate_trigger('changes', (mgr, processed_changeds))  
AttributeError: 'NoneType' object has no attribute 'triggers'  
  
Error processing trigger ""new frame"":  
AttributeError: 'NoneType' object has no attribute 'triggers'  
  
File ""/Users/tahashahid/Library/Application Support/ChimeraX/1.5/site-
packages/chimerax/isolde/molobject.py"", line 1778, in _process_changes  
mgr.triggers.activate_trigger('changes', (mgr, processed_changeds))  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
""/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/triggerset.py"", line 134, in invoke  
return self._func(self._name, data)  
File ""/Users/tahashahid/Library/Application Support/ChimeraX/1.5/site-
packages/chimerax/clipper/symmetry.py"", line 1252, in _set_default_cartoon_cb  
set_to_default_cartoon(self.session, model = self.structure)  
File ""/Users/tahashahid/Library/Application Support/ChimeraX/1.5/site-
packages/chimerax/clipper/util.py"", line 80, in set_to_default_cartoon  
cartoon.cartoon(session, atoms = atoms, suppress_backbone_display=False)  
File
""/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/std_commands/cartoon.py"", line 70, in cartoon  
residues = all_residues(session)  
File
""/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/atomic/structure.py"", line 2389, in all_residues  
structures = all_structures(session, atomic_only=atomic_only)  
File
""/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/atomic/structure.py"", line 2365, in all_structures  
return Structures([m for m in session.models.list() if
isinstance(m,class_obj)])  
AttributeError: 'NoneType' object has no attribute 'models'  
  
Error processing trigger ""frame drawn"":  
AttributeError: 'NoneType' object has no attribute 'models'  
  
File
""/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/atomic/structure.py"", line 2365, in all_structures  
return Structures([m for m in session.models.list() if
isinstance(m,class_obj)])  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
""/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/triggerset.py"", line 134, in invoke  
return self._func(self._name, data)  
File ""/Users/tahashahid/Library/Application Support/ChimeraX/1.5/site-
packages/chimerax/clipper/symmetry.py"", line 1905, in rebuild  
_copy_ribbon_drawing(self.master_ribbon, self, self.dim_factor)  
File ""/Users/tahashahid/Library/Application Support/ChimeraX/1.5/site-
packages/chimerax/clipper/symmetry.py"", line 1883, in master_ribbon  
return self.structure._ribbons_drawing  
AttributeError: 'NoneType' object has no attribute '_ribbons_drawing'  
  
Error processing trigger ""frame drawn"":  
AttributeError: 'NoneType' object has no attribute '_ribbons_drawing'  
  
File ""/Users/tahashahid/Library/Application Support/ChimeraX/1.5/site-
packages/chimerax/clipper/symmetry.py"", line 1883, in master_ribbon  
return self.structure._ribbons_drawing  
  
See log for complete Python traceback.  
  




OpenGL version: 4.1 ATI-4.9.51
OpenGL renderer: AMD Radeon Pro 555 OpenGL Engine
OpenGL vendor: ATI Technologies Inc.

Python: 3.9.11
Locale: UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro14,3
      Processor Name: Quad-Core Intel Core i7
      Processor Speed: 2.8 GHz
      Number of Processors: 1
      Total Number of Cores: 4
      L2 Cache (per Core): 256 KB
      L3 Cache: 6 MB
      Hyper-Threading Technology: Enabled
      Memory: 16 GB
      System Firmware Version: 499.40.2.0.0
      OS Loader Version: 564.40.4~66
      SMC Version (system): 2.45f5

Software:

    System Software Overview:

      System Version: macOS 13.2.1 (22D68)
      Kernel Version: Darwin 22.3.0
      Time since boot: 4 days, 18 hours, 2 minutes

Graphics/Displays:

    Intel HD Graphics 630:

      Chipset Model: Intel HD Graphics 630
      Type: GPU
      Bus: Built-In
      VRAM (Dynamic, Max): 1536 MB
      Vendor: Intel
      Device ID: 0x591b
      Revision ID: 0x0004
      Automatic Graphics Switching: Supported
      gMux Version: 4.0.29 [3.2.8]
      Metal Support: Metal 3

    Radeon Pro 555:

      Chipset Model: Radeon Pro 555
      Type: GPU
      Bus: PCIe
      PCIe Lane Width: x8
      VRAM (Total): 2 GB
      Vendor: AMD (0x1002)
      Device ID: 0x67ef
      Revision ID: 0x00c7
      ROM Revision: 113-C980AJ-927
      VBIOS Version: 113-C9801AP-A02
      EFI Driver Version: 01.A0.927
      Automatic Graphics Switching: Supported
      gMux Version: 4.0.29 [3.2.8]
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-In Retina LCD
          Resolution: 2880 x 1800 Retina
          Framebuffer Depth: 24-Bit Color (ARGB8888)
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.12
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.1.0
    Babel: 2.11.0
    backcall: 0.2.0
    blockdiag: 3.0.0
    build: 0.8.0
    certifi: 2021.10.8
    cftime: 1.6.2
    charset-normalizer: 2.1.1
    ChimeraX-AddCharge: 1.4
    ChimeraX-AddH: 2.2.1
    ChimeraX-AlignmentAlgorithms: 2.0
    ChimeraX-AlignmentHdrs: 3.2.1
    ChimeraX-AlignmentMatrices: 2.0
    ChimeraX-Alignments: 2.6
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.3
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.0
    ChimeraX-Atomic: 1.41.5
    ChimeraX-AtomicLibrary: 8.0.3
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3
    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: 2.7.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.1
    ChimeraX-ChangeChains: 1.0.2
    ChimeraX-CheckWaters: 1.3
    ChimeraX-ChemGroup: 2.0
    ChimeraX-Clashes: 2.2.4
    ChimeraX-Clipper: 0.19.0
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.2
    ChimeraX-CommandLine: 1.2.4
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.5
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.3.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.2
    ChimeraX-Dicom: 1.1
    ChimeraX-DistMonitor: 1.3
    ChimeraX-DockPrep: 1.0
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ExperimentalCommands: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.2
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 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: 1.5
    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: 1.1.2
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.1
    ChimeraX-MatchMaker: 2.0.9
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1
    ChimeraX-mmCIF: 2.8
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.6
    ChimeraX-ModelPanel: 1.3.6
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.1
    ChimeraX-MouseModes: 1.1.1
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.9.1
    ChimeraX-PDB: 2.6.8
    ChimeraX-PDBBio: 1.0
    ChimeraX-PDBLibrary: 1.0.2
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    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-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 2.0.1
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.7.2
    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
    ChimeraX-STL: 1.0
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.1.3
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.1
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.24.3
    ChimeraX-uniprot: 2.2.1
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.1.4
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.1
    ChimeraX-WebServices: 1.1.0
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.5
    cxservices: 1.2
    cycler: 0.11.0
    Cython: 0.29.32
    debugpy: 1.6.4
    decorator: 5.1.1
    docutils: 0.19
    entrypoints: 0.4
    executing: 1.2.0
    filelock: 3.7.1
    fonttools: 4.38.0
    funcparserlib: 1.0.1
    grako: 3.16.5
    h5py: 3.7.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.33
    imagecodecs: 2022.7.31
    imagesize: 1.4.1
    importlib-metadata: 5.1.0
    ipykernel: 6.15.3
    ipython: 8.4.0
    ipython-genutils: 0.2.0
    jedi: 0.18.1
    Jinja2: 3.1.2
    jupyter-client: 7.3.4
    jupyter-core: 5.1.0
    kiwisolver: 1.4.4
    line-profiler: 3.5.1
    lxml: 4.9.1
    lz4: 4.0.2
    MarkupSafe: 2.1.1
    matplotlib: 3.5.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.6
    netCDF4: 1.6.0
    networkx: 2.8.5
    numexpr: 2.8.4
    numpy: 1.23.1
    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: 9.2.0
    pip: 22.3.1
    pkginfo: 1.8.3
    platformdirs: 2.5.4
    prompt-toolkit: 3.0.33
    psutil: 5.9.1
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.12.0
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.9
    PyQt6-commercial: 6.3.1
    PyQt6-Qt6: 6.3.2
    PyQt6-sip: 13.4.0
    PyQt6-WebEngine-commercial: 6.3.1
    PyQt6-WebEngine-Qt6: 6.3.2
    python-dateutil: 2.8.2
    pytz: 2022.6
    pyzmq: 24.0.1
    qtconsole: 5.3.1
    QtPy: 2.3.0
    RandomWords: 0.4.0
    requests: 2.28.1
    scipy: 1.9.0
    setuptools: 65.1.1
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.2
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    Sphinx: 5.1.1
    sphinx-autodoc-typehints: 1.19.1
    sphinxcontrib-applehelp: 1.0.2
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.7.0
    tifffile: 2022.7.31
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.2
    traitlets: 5.3.0
    typing-extensions: 4.4.0
    urllib3: 1.26.13
    wcwidth: 0.2.5
    webcolors: 1.12
    wheel: 0.37.1
    wheel-filename: 1.4.1
    zipp: 3.11.0

}}}
"	defect	assigned	normal		Third Party								all	ChimeraX
