Opened 7 years ago

Last modified 7 years ago

#1713 closed defect

ChimeraX bug report submission — at Initial Version

Reported by: a.rohou@… Owned by:
Priority: normal Milestone:
Component: General Controls Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Darwin-17.7.0-x86_64-i386-64bit
ChimeraX Version: 0.9 (2019-02-08)
Description
Reproducer:
close; open pdb:1tbq; getcrd /K:187@CA

Log:
UCSF ChimeraX version: 0.9 (2019-02-08)  
© 2016-2019 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open CD20_Ritux.cxc

> open
/Users/rohoua/work/Genentech/CD20/CD20_Ritux/CD20_Ritux_190208_new_Fc_noH2O_asym_BIOMT_BIOMT_expanded_real_space_refined_edited3-coot-1.pdb
name '"atomic model"'

Summary of feedback from opening
/Users/rohoua/work/Genentech/CD20/CD20_Ritux/CD20_Ritux_190208_new_Fc_noH2O_asym_BIOMT_BIOMT_expanded_real_space_refined_edited3-coot-1.pdb  
---  
warnings | Ignored bad PDB record found on line 22  
GEOMETRY RESTRAINTS LIBRARY: CDL v1.2  
  
Ignored bad PDB record found on line 23  
DEVIATIONS FROM IDEAL VALUES.  
  
Ignored bad PDB record found on line 24  
BOND : 0.010 0.065 9358  
  
Ignored bad PDB record found on line 25  
ANGLE : 1.092 13.638 12736  
  
Ignored bad PDB record found on line 26  
CHIRALITY : 0.065 0.341 1444  
  
16 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (87 )  
Cannot find LINK/SSBOND residue CYS (133 )  
Cannot find LINK/SSBOND residue CYS (96 )  
Cannot find LINK/SSBOND residue CYS (148 )  
Cannot find LINK/SSBOND residue CYS (87 )  
3 messages similar to the above omitted  
  
Chain information for atomic model #1  
---  
Chain | Description  
C D | No description available  
H I | No description available  
L M | No description available  
  

> open
/Users/rohoua/work/Genentech/CD20/CD20_Ritux/181217_CD20_interim_results/generate3d_volume_28_31_1_sharp_8_4p0_m90_0_20_fom_z.mrc
name '"map"'

Opened generate3d_volume_28_31_1_sharp_8_4p0_m90_0_20_fom_z.mrc, grid size
310,310,310, pixel 1, shown at level 0.0611, step 2, values float32  

> open
/Users/rohoua/work/Genentech/CD20/CD20_Ritux/181217_CD20_interim_results/generate3d_volume_28_31_1_sharp_8_3p12_m90_0_20_fom_z.mrc
name '"map sharp"'

Opened generate3d_volume_28_31_1_sharp_8_3p12_m90_0_20_fom_z.mrc, grid size
310,310,310, pixel 1, shown at level 0.0816, step 2, values float32  

> name cd20RituxDimer #1

> name cd20 #1/C,D

> name cd20Monomer #1/C

> name cd20H1 #1/C,D:46-70

> name cd20ECL1 #1/C,D:71-81

> name cd20H2 #1/C,D:82-105

> name cd20ICL1 #1/C,D:106-112

> name cd20H3 #1/C,D:113-140

> name cd20ECL2 #1/C,D:141-182

> name cd20ECL2SS #1/C,D:167,183

> name cd20H4 #1/C,D:183-207

> name cd20DimerInt #1/C,D:62,200,65,196,69,192,73,188,76,185,58,54,50

> name Ritux #1/H,L,I,M

> name RituxH #1/H,I

> name RituxL #1/L,M

> name RituxEpitope #1/C,D:168-175

> set bgColor white

> set silhouettes true

> lighting full

> open CD20_Ritux_color_model.cxc

> color cd20RituxDimer gray

> color cd20 burlywood

> color modify cd20H1 hue - 20

> color modify cd20H2 hue - 10

> color modify cd20H3 hue + 0

> color modify cd20H4 hue + 10

> color modify cd20ECL1 hue +10

> color modify cd20ECL2 hue + 40

> color modify cd20 saturation + 80

> color Ritux plum

> color modify RituxH hue - 40

executed CD20_Ritux_color_model.cxc  

> hide cd20RituxDimer

> ribbon cd20RituxDimer

> show cd20ECL2SS

> style cd20ECL2SS stick

Changed 24 atom styles  

> volume zone #2 nearAtoms Ritux range 10.0 invert true newMap true modelId
100

> volume zone #100 nearAtoms cd20 range 3.0 invert true newMap true modelId 4

> close #100

> volume #2 step 1 level 0.33 color #9999CC

> volume #3 step 1 level 0.33 color #9999CC

> volume #4 step 1 level 0.1 color #CCCCFF55

> display #2,4

> color zone #2 near cd20RituxDimer distance 4.0

> color zone #3 near cd20RituxDimer distance 4.0

> hide #!4 models

> hide #!3 models

> hide #!2 models

> show #!1 models

> turn x 90

executed CD20_Ritux.cxc  

> save /Users/rohoua/Desktop/image8.png supersample 3

> help scalebar

No help found for 'scalebar'  

> help

Developer warnings in user commands index:

  * didn't expect href to be to tools/sequenceviewer.html on line 246

  

> help distance

> distance /L:213@CA /M:213@CA

Distance between /L GLU 213 CA and /M GLU 213 CA: 142.962Å  

> turn y 90

> turn y 180

> view orient

> view initial

> open CD20_Ritux_overview_figures.cxc

> close

> open CD20_Ritux.cxc

> open
/Users/rohoua/work/Genentech/CD20/CD20_Ritux/CD20_Ritux_190208_new_Fc_noH2O_asym_BIOMT_BIOMT_expanded_real_space_refined_edited3-coot-1.pdb
name '"atomic model"'

Summary of feedback from opening
/Users/rohoua/work/Genentech/CD20/CD20_Ritux/CD20_Ritux_190208_new_Fc_noH2O_asym_BIOMT_BIOMT_expanded_real_space_refined_edited3-coot-1.pdb  
---  
warnings | Ignored bad PDB record found on line 22  
GEOMETRY RESTRAINTS LIBRARY: CDL v1.2  
  
Ignored bad PDB record found on line 23  
DEVIATIONS FROM IDEAL VALUES.  
  
Ignored bad PDB record found on line 24  
BOND : 0.010 0.065 9358  
  
Ignored bad PDB record found on line 25  
ANGLE : 1.092 13.638 12736  
  
Ignored bad PDB record found on line 26  
CHIRALITY : 0.065 0.341 1444  
  
16 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (87 )  
Cannot find LINK/SSBOND residue CYS (133 )  
Cannot find LINK/SSBOND residue CYS (96 )  
Cannot find LINK/SSBOND residue CYS (148 )  
Cannot find LINK/SSBOND residue CYS (87 )  
3 messages similar to the above omitted  
  
Chain information for atomic model #1  
---  
Chain | Description  
C D | No description available  
H I | No description available  
L M | No description available  
  

> open
/Users/rohoua/work/Genentech/CD20/CD20_Ritux/181217_CD20_interim_results/generate3d_volume_28_31_1_sharp_8_4p0_m90_0_20_fom_z.mrc
name '"map"'

Opened generate3d_volume_28_31_1_sharp_8_4p0_m90_0_20_fom_z.mrc, grid size
310,310,310, pixel 1, shown at level 0.0611, step 2, values float32  

> open
/Users/rohoua/work/Genentech/CD20/CD20_Ritux/181217_CD20_interim_results/generate3d_volume_28_31_1_sharp_8_3p12_m90_0_20_fom_z.mrc
name '"map sharp"'

Opened generate3d_volume_28_31_1_sharp_8_3p12_m90_0_20_fom_z.mrc, grid size
310,310,310, pixel 1, shown at level 0.0816, step 2, values float32  

> name cd20RituxDimer #1

> name cd20 #1/C,D

> name cd20Monomer #1/C

> name cd20H1 #1/C,D:46-70

> name cd20ECL1 #1/C,D:71-81

> name cd20H2 #1/C,D:82-105

> name cd20ICL1 #1/C,D:106-112

> name cd20H3 #1/C,D:113-140

> name cd20ECL2 #1/C,D:141-182

> name cd20ECL2SS #1/C,D:167,183

> name cd20H4 #1/C,D:183-207

> name cd20DimerInt #1/C,D:62,200,65,196,69,192,73,188,76,185,58,54,50

> name Ritux #1/H,L,I,M

> name RituxH #1/H,I

> name RituxL #1/L,M

> name RituxEpitope #1/C,D:168-175

> set bgColor white

> set silhouettes true

> lighting full

> open CD20_Ritux_color_model.cxc

> color cd20RituxDimer gray

> color cd20 burlywood

> color modify cd20H1 hue - 20

> color modify cd20H2 hue - 10

> color modify cd20H3 hue + 0

> color modify cd20H4 hue + 10

> color modify cd20ECL1 hue +10

> color modify cd20ECL2 hue + 40

> color modify cd20 saturation + 80

> color Ritux plum

> color modify RituxH hue - 40

executed CD20_Ritux_color_model.cxc  

> hide cd20RituxDimer

> ribbon cd20RituxDimer

> show cd20ECL2SS

> style cd20ECL2SS stick

Changed 24 atom styles  

> volume zone #2 nearAtoms Ritux range 10.0 invert true newMap true modelId
100

> volume zone #100 nearAtoms cd20 range 3.0 invert true newMap true modelId 4

> close #100

> volume #2 step 1 level 0.33 color #9999CC

> volume #3 step 1 level 0.33 color #9999CC

> volume #4 step 1 level 0.1 color #CCCCFF55

> display #2,4

> color zone #2 near cd20RituxDimer distance 4.0

> color zone #3 near cd20RituxDimer distance 4.0

> hide #!4 models

> hide #!3 models

> hide #!2 models

> show #!1 models

> turn x 90

executed CD20_Ritux.cxc  

> save Figures/CD20_Ritux_overview_ribbons_wideside.png supersample 3

> turn y 90

> save Figures/CD20_Ritux_overview_ribbons_narrowside.png supersample 3

> turn y -90

> turn x 90

> save Figures/CD20_Ritux_overview_ribbons_top.png supersample 3

> turn x -180

> save Figures/CD20_Ritux_overview_ribbons_bottom.png supersample 3

> getcrd /L:213@CA model

Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 50, in <lambda>  
data[0] == pself.attr_name and pself.set(pself.get_attribute()))  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/core_settings_ui.py", line 435, in _core_setting_changed  
self.options[setting_name].set(new_val)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Atom /L:213@CA 226.486 155.374 102.618  

> getcrd /M:213@CA model

Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 50, in <lambda>  
data[0] == pself.attr_name and pself.set(pself.get_attribute()))  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/core_settings_ui.py", line 435, in _core_setting_changed  
self.options[setting_name].set(new_val)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Atom /M:213@CA 83.526 154.639 102.618  

> getcrd /H:16@CA model

Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 50, in <lambda>  
data[0] == pself.attr_name and pself.set(pself.get_attribute()))  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/core_settings_ui.py", line 435, in _core_setting_changed  
self.options[setting_name].set(new_val)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Atom /H:16@CA 184.924 180.815 122.837  

> getcrd /L:202@CA model

Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 50, in <lambda>  
data[0] == pself.attr_name and pself.set(pself.get_attribute()))  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/core_settings_ui.py", line 435, in _core_setting_changed  
self.options[setting_name].set(new_val)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Atom /L:202@CA 210.607 133.184 116.113  

> getcrd /H:191@CA model

Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 50, in <lambda>  
data[0] == pself.attr_name and pself.set(pself.get_attribute()))  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/core_settings_ui.py", line 435, in _core_setting_changed  
self.options[setting_name].set(new_val)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Atom /H:191@CA 210.829 151.513 83.648  

> getcrd /C:111@CA model

Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 50, in <lambda>  
data[0] == pself.attr_name and pself.set(pself.get_attribute()))  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/core_settings_ui.py", line 435, in _core_setting_changed  
self.options[setting_name].set(new_val)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Atom /C:111@CA 167.859 144.657 197.098  
executed CD20_Ritux_overview_figures.cxc  

> getcrd /L:213@CA model

Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 50, in <lambda>  
data[0] == pself.attr_name and pself.set(pself.get_attribute()))  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/core_settings_ui.py", line 435, in _core_setting_changed  
self.options[setting_name].set(new_val)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Atom /L:213@CA 226.486 155.374 102.618  

> getcrd /L:213@CA

Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 50, in <lambda>  
data[0] == pself.attr_name and pself.set(pself.get_attribute()))  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/core_settings_ui.py", line 435, in _core_setting_changed  
self.options[setting_name].set(new_val)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Atom /L:213@CA 226.486 155.374 102.618  

> help getcrd

> close

> open pdb:1tbq

1tbq title:  
Crystal structure of insect derived double domain kazal inhibitor rhodniin In
complex with thrombin [more info...]  
  
Chain information for 1tbq #1  
---  
Chain | Description  
H K | thrombin  
J L | thrombin  
R S | rhodniin  
  
1tbq mmCIF Assemblies  
---  
1| author_and_software_defined_assembly  
2| author_and_software_defined_assembly  
  
  

> getcrd /K:187@CA

Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 50, in <lambda>  
data[0] == pself.attr_name and pself.set(pself.get_attribute()))  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/core_settings_ui.py", line 435, in _core_setting_changed  
self.options[setting_name].set(new_val)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Atom /K:187@CA 13.153 101.659 66.719  

> select /K:187@CA

1 atom selected  

> getcrd /K:187@CA

Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 50, in <lambda>  
data[0] == pself.attr_name and pself.set(pself.get_attribute()))  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/core_settings_ui.py", line 435, in _core_setting_changed  
self.options[setting_name].set(new_val)  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
ValueError: 'command-line specifier' is not in list  
  
Error processing trigger "setting changed": 'command-line specifier' is not in
list:  
ValueError: 'command-line specifier' is not in list  
  
File
"/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/options/options.py", line 606, in set  
self.widget.setText(self.labels[list(self.values).index(value)])  
  
See log for complete Python traceback.  
  
Atom /K:187@CA 13.153 101.659 66.719  




OpenGL version: 4.1 INTEL-10.36.23
OpenGL renderer: Intel(R) Iris(TM) Graphics 650
OpenGL vendor: Intel Inc.

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