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Opened 3 years ago
Closed 3 years ago
#7201 closed defect (fixed)
ViewDockX saving session: 'QEventLoop' object has no attribute 'exec_'
| Reported by: | Owned by: | Zach Pearson | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Sessions | Version: | |
| Keywords: | Cc: | Eric Pettersen, Tom Goddard, thomas.knight.21@… | |
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: Windows-10-10.0.22000
ChimeraX Version: 1.4rc202205290614 (2022-05-29 06:14:06 UTC)
Description
Save session error triggers for sessions with ViewDockX results
Log:
UCSF ChimeraX version: 1.4rc202205290614 (2022-05-29)
© 2016-2022 Regents of the University of California. All rights reserved.
> open "C:\\\Users\\\Lab
> User\\\Desktop\\\Docking\\\SIRT6\\\SIRT6-Template.cxs"
Log from Wed Jun 29 10:17:59 2022UCSF ChimeraX version: 1.4rc202205290614
(2022-05-29)
© 2016-2022 Regents of the University of California. All rights reserved.
> open "C:\\\Users\\\Lab User\\\Desktop\\\Docking\\\SIRT6\\\SIRT6-Acetyl
> Template.cxs"
Log from Thu Jun 23 19:33:17 2022UCSF ChimeraX version: 1.4rc202205290614
(2022-05-29)
© 2016-2022 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open "C:\\\Users\\\Lab
> User\\\Desktop\\\Docking\\\SIRT6\\\Protein\\\SIRT6_Reduced_Acetyl.pdb"
Chain information for SIRT6_Reduced_Acetyl.pdb #1
---
Chain | Description
A | No description available
C | No description available
> select /A:80
7 atoms, 7 bonds, 1 residue, 1 model selected
> select up
681 atoms, 687 bonds, 69 residues, 1 model selected
> select up
887 atoms, 899 bonds, 92 residues, 1 model selected
> surface sel
> transparency (#!1 & sel) 30
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
9 atoms, 8 bonds, 1 residue, 1 model selected
> select up
53 atoms, 52 bonds, 8 residues, 1 model selected
> select up
56 atoms, 55 bonds, 9 residues, 1 model selected
> surface sel
> select /C:101@C2
1 atom, 1 residue, 1 model selected
> select up
3 atoms, 2 bonds, 1 residue, 1 model selected
> select up
56 atoms, 55 bonds, 9 residues, 1 model selected
> surface (#!1 & sel)
> select clear
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
46 atoms, 49 bonds, 1 residue, 1 model selected
> style sel sphere
Changed 46 atom styles
> select /A:79@CB
1 atom, 1 residue, 1 model selected
> select /A:80@CD
1 atom, 1 residue, 1 model selected
> select /A:70@CG1
1 atom, 1 residue, 1 model selected
> select /A:80@CD
1 atom, 1 residue, 1 model selected
> select /A:70@CG2
1 atom, 1 residue, 1 model selected
> select /A:64@CE1
1 atom, 1 residue, 1 model selected
> hide (#!1 & sel) target a
> select up
13 atoms, 13 bonds, 1 residue, 2 models selected
> hide (#!1 & sel) target a
> select /A:82@O
1 atom, 1 residue, 1 model selected
> select /A:86@CD2
1 atom, 1 residue, 1 model selected
> select add /A:82@O
2 atoms, 2 residues, 2 models selected
> select add /A:157@N
3 atoms, 3 residues, 2 models selected
> select add /A:157@CG
4 atoms, 3 residues, 2 models selected
> show (#!1 & sel) target ab
> select up
33 atoms, 32 bonds, 3 residues, 2 models selected
> show (#!1 & sel) target ab
> select /A:136@CB
1 atom, 1 residue, 1 model selected
> select up
9 atoms, 8 bonds, 1 residue, 2 models selected
> show (#!1 & sel) target ab
> select /A:500@C2D
1 atom, 1 residue, 1 model selected
> select up
46 atoms, 49 bonds, 1 residue, 1 model selected
> color sel white
> select clear
> select /A:500@C2D
1 atom, 1 residue, 1 model selected
> select up
46 atoms, 49 bonds, 1 residue, 1 model selected
> select up
933 atoms, 948 bonds, 93 residues, 1 model selected
> select down
46 atoms, 49 bonds, 1 residue, 2 models selected
> color sel purple
> select clear
> select /A:136@CE
1 atom, 1 residue, 1 model selected
> select up
9 atoms, 8 bonds, 1 residue, 2 models selected
> select up
681 atoms, 687 bonds, 69 residues, 2 models selected
> select up
887 atoms, 899 bonds, 92 residues, 2 models selected
> transparency (#!1 & sel) 40
> select clear
> select /A:86@CD2
1 atom, 1 residue, 1 model selected
> select up
12 atoms, 12 bonds, 1 residue, 2 models selected
> select up
681 atoms, 687 bonds, 69 residues, 2 models selected
> select up
887 atoms, 899 bonds, 92 residues, 2 models selected
> ui tool show "Color Actions"
> color sel white target c
> color sel gray target c
> color sel white target c
> color sel dark gray target c
> color sel black target c
> color sel white target c
> color sel white target ac
> select clear
> save "C:/Users/Lab User/Desktop/Docking/SIRT6/SIRT6-Acetyl Template.cxs"
——— End of log from Thu Jun 23 19:33:17 2022 ———
opened ChimeraX session
> select /C:5@NZ
1 atom, 1 residue, 1 model selected
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
3 atoms, 2 bonds, 1 residue, 1 model selected
> select up
56 atoms, 55 bonds, 9 residues, 1 model selected
> delete atoms (#!1 & sel)
> delete bonds (#!1 & sel)
> select /A:157@CG
1 atom, 1 residue, 1 model selected
> select up
9 atoms, 8 bonds, 1 residue, 2 models selected
> select up
681 atoms, 687 bonds, 69 residues, 2 models selected
> select up
887 atoms, 899 bonds, 92 residues, 2 models selected
> transparency (#!1 & sel) 80
> select clear
> save "C:/Users/Lab User/Desktop/Docking/SIRT6/SIRT6-Template.cxs"
——— End of log from Wed Jun 29 10:17:59 2022 ———
opened ChimeraX session
> open "C:/Users/Lab User/Desktop/Docking/Results/Native Ligand/Rigid
> Docking/A127-CONHPr-B178_Crystal_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Native Ligand/Rigid
Docking/A127-CONHPr-B178_Crystal_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.6 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C14_15 and C16_14
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C12_16 and C14_15
Ignored bad PDB record found on line 7
REMARK 3 A between atoms: C11_17 and C12_16
364 messages similar to the above omitted
Opened A127-CONHPr-B178_Crystal_out.pdbqt containing 9 structures (432 atoms,
450 bonds)
> ui tool show ViewDockX
> hbonds #2.1-9 restrict #!1 reveal true interSubmodel true
7 hydrogen bonds found
> open "C:/Users/Lab
> User/Desktop/Docking/SIRT6/Ligands/A127-CONHPr-B178_Crystal.pdb"
A127-CONHPr-B178_Crystal.pdb title:
\--- [more info...]
Non-standard residues in A127-CONHPr-B178_Crystal.pdb #4
---
PDB — (PDB)
> color #4 yellow transparency 0
> ui tool show "Color Actions"
> color byhetero
> undo
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
39 atoms, 41 bonds, 1 residue, 1 model selected
> color sel byhetero
> hide #2.1-9 models
> show #2.1 models
> view #4 clip false
> log metadata #4
Metadata for A127-CONHPr-B178_Crystal.pdb #4
---
Title | \---
Non-standard residue | PDB — (PDB)
> log chains #4
> ui tool show "Selection Inspector"
> size =sel stickRadius 0.05
Changed 41 bond radii
> select clear
> save "C:/Users/Lab User/Desktop/Docking/Results/Native Ligand/Rigid
> Docking/result.cxs"
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 272, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 314, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D11BA660D0> '1'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001D1596D6DF0> -> <chimerax.viewdockx.tool.TableTool object at
0x000001D11BA660D0> '1': Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D11BA660D0> '1'
ValueError: error processing: 'tools' -> -> '1': Error while saving session
data for 'tools' -> -> '1'
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 272, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 314, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D11BA660D0> '1'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 116, in <lambda>
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 127, in show_save_file_dialog
_dlg.display(session, **kw)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 51, in display
run(session, cmd)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 90, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core_formats\\__init__.py", line 84, in save
return cxs_save(session, path, **kw)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001D1596D6DF0> -> <chimerax.viewdockx.tool.TableTool object at
0x000001D11BA660D0> '1': Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D11BA660D0> '1'
ValueError: error processing: 'tools' -> -> '1': Error while saving session
data for 'tools' -> -> '1'
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
> save C:/Docking/result.cxs
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 272, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 314, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D11BA660D0> '1'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001D1596D6DF0> -> <chimerax.viewdockx.tool.TableTool object at
0x000001D11BA660D0> '1': Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D11BA660D0> '1'
ValueError: error processing: 'tools' -> -> '1': Error while saving session
data for 'tools' -> -> '1'
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 272, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 314, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D11BA660D0> '1'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 116, in <lambda>
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 127, in show_save_file_dialog
_dlg.display(session, **kw)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 51, in display
run(session, cmd)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 90, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core_formats\\__init__.py", line 84, in save
return cxs_save(session, path, **kw)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001D1596D6DF0> -> <chimerax.viewdockx.tool.TableTool object at
0x000001D11BA660D0> '1': Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D11BA660D0> '1'
ValueError: error processing: 'tools' -> -> '1': Error while saving session
data for 'tools' -> -> '1'
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
> close #2
> close #3
> open C:/Docking/A127-CONHPr-B178_Crystal_out.pdbqt
Summary of feedback from opening C:/Docking/A127-CONHPr-B178_Crystal_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.6 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C14_15 and C16_14
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C12_16 and C14_15
Ignored bad PDB record found on line 7
REMARK 3 A between atoms: C11_17 and C12_16
364 messages similar to the above omitted
Opened A127-CONHPr-B178_Crystal_out.pdbqt containing 9 structures (432 atoms,
450 bonds)
> save C:/Docking/result.cxs
> ui tool show ViewDockX
> save C:/Docking/result2.cxs
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 272, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 314, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D11B9FBAC0> '1'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001D1596D6DF0> -> <chimerax.viewdockx.tool.TableTool object at
0x000001D11B9FBAC0> '1': Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D11B9FBAC0> '1'
ValueError: error processing: 'tools' -> -> '1': Error while saving session
data for 'tools' -> -> '1'
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 272, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 314, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D11B9FBAC0> '1'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 116, in <lambda>
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 127, in show_save_file_dialog
_dlg.display(session, **kw)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 51, in display
run(session, cmd)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 90, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core_formats\\__init__.py", line 84, in save
return cxs_save(session, path, **kw)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001D1596D6DF0> -> <chimerax.viewdockx.tool.TableTool object at
0x000001D11B9FBAC0> '1': Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D11B9FBAC0> '1'
ValueError: error processing: 'tools' -> -> '1': Error while saving session
data for 'tools' -> -> '1'
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
> ui tool show ViewDockX
> hide #2.1-9 models
> show #2.1 models
> hide #2.1 models
> show #2.2 models
> hide #2.2 models
> show #2.3 models
> hide #2.3 models
> show #2.4 models
> hide #2.4 models
> show #2.5 models
> hide #2.5 models
> show #2.6 models
> hide #2.6 models
> show #2.1 models
> hide #2.1 models
> show #2.2 models
> hide #2.2 models
> show #2.3 models
> hide #2.3 models
> show #2.4 models
> hide #2.4 models
> show #2.1 models
> hide #2.1 models
> show #2.2 models
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R1_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R1_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.6 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_10
292 messages similar to the above omitted
Opened R1_out.pdbqt containing 9 structures (378 atoms, 396 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R1_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R2_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R2_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.5 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_10
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_7 and C_14
310 messages similar to the above omitted
Opened R2_out.pdbqt containing 9 structures (369 atoms, 387 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R2_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R3_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R3_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.2 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_3 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_7
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_8 and O_16
310 messages similar to the above omitted
Opened R3_out.pdbqt containing 9 structures (378 atoms, 396 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R3_result.cxs"
> hide #!2 models
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R4_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R4_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.5 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and N_9
292 messages similar to the above omitted
Opened R4_out.pdbqt containing 9 structures (405 atoms, 423 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R4_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R5_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R5_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.1 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_7
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_7 and N_10
310 messages similar to the above omitted
Opened R5_out.pdbqt containing 9 structures (414 atoms, 432 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R5_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R6_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R6_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.9 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_3 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_7
292 messages similar to the above omitted
Opened R6_out.pdbqt containing 9 structures (360 atoms, 378 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R6_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R7_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R7_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.0 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_10
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_7 and C_14
310 messages similar to the above omitted
Opened R7_out.pdbqt containing 9 structures (369 atoms, 387 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R7_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R8_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R8_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.8 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_10
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_7 and C_14
310 messages similar to the above omitted
Opened R8_out.pdbqt containing 9 structures (369 atoms, 387 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R8_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R9_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R9_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.7 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and N_9
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_10 and C_14
310 messages similar to the above omitted
Opened R9_out.pdbqt containing 9 structures (378 atoms, 396 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R9_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R10_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R10_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.0 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and N_9
292 messages similar to the above omitted
Opened R10_out.pdbqt containing 9 structures (405 atoms, 423 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R10_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R11_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R11_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.9 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 8 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and N_9
265 messages similar to the above omitted
Opened R11_out.pdbqt containing 9 structures (369 atoms, 387 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R11_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R12._out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R12._out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.1 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 8 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and N_9
265 messages similar to the above omitted
Opened R12._out.pdbqt containing 9 structures (378 atoms, 396 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R12_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R12_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R12_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.8 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 8 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and N_9
265 messages similar to the above omitted
Opened R12_out.pdbqt containing 9 structures (378 atoms, 396 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R12a_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R13_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R13_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.1 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_7
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_7 and N_10
310 messages similar to the above omitted
Opened R13_out.pdbqt containing 9 structures (414 atoms, 432 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R13_result.cxs"
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R14_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R14_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.6 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_7
292 messages similar to the above omitted
Opened R14_out.pdbqt containing 9 structures (387 atoms, 405 bonds)
> close #2
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R14_result.cxs"
> close #3
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R15_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R15_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -6.8 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 7 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_13
Ignored bad PDB record found on line 11
REMARK 2 A between atoms: C_18 and C_21
238 messages similar to the above omitted
Opened R15_out.pdbqt containing 9 structures (369 atoms, 396 bonds)
> save "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R15_result.cxs"
> close #2
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R1_out.pdbqt"
> "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R2_out.pdbqt"
> "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R3_out.pdbqt"
> "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R4_out.pdbqt"
> "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R5_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R1_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.6 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_10
292 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R2_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.5 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_10
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_7 and C_14
310 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R3_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.2 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_3 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_7
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_8 and O_16
310 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R4_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.5 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and N_9
292 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced2/R5_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.1 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_7
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_7 and N_10
310 messages similar to the above omitted
Opened R1_out.pdbqt containing 9 structures (378 atoms, 396 bonds)
Opened R2_out.pdbqt containing 9 structures (369 atoms, 387 bonds)
Opened R3_out.pdbqt containing 9 structures (378 atoms, 396 bonds)
Opened R4_out.pdbqt containing 9 structures (405 atoms, 423 bonds)
Opened R5_out.pdbqt containing 9 structures (414 atoms, 432 bonds)
> ui tool show ViewDockX
> hide #2.1-9#3.1-9#5.1-9#6.1-9#7.1-9 models
> show #2.1 models
> hide #2.1 models
> show #2.2 models
> hide #2.2 models
> show #2.3 models
> hide #2.3 models
> show #2.4 models
> hide #2.4 models
> show #2.5 models
> hide #2.5 models
> show #2.6 models
> hide #2.6 models
> show #2.7 models
> hide #2.7 models
> show #2.8 models
> hide #2.8 models
> show #2.9 models
> hide #2.9 models
> show #3.1 models
> hide #3.1 models
> show #3.2 models
> hide #3.2 models
> show #3.3 models
> hide #3.3 models
> show #3.4 models
> hide #3.4 models
> show #3.5 models
> hide #3.5 models
> show #3.6 models
> hide #3.6 models
> show #3.7 models
> hide #3.7 models
> show #3.8 models
> hide #3.8 models
> show #3.9 models
> hide #3.9 models
> show #5.1 models
> hide #5.1 models
> show #5.2 models
> hide #5.2 models
> show #5.3 models
> hide #5.3 models
> show #5.4 models
> hide #5.4 models
> show #5.5 models
> hide #5.5 models
> show #5.6 models
> hide #5.6 models
> show #5.7 models
> hide #5.7 models
> show #5.8 models
> hide #5.8 models
> show #5.9 models
> hide #5.9 models
> show #6.1 models
> hide #6.1 models
> show #5.9 models
> hide #5.9 models
> show #6.1 models
> hide #6.1 models
> show #5.9 models
> hide #5.9 models
> show #6.1 models
> hide #6.1 models
> show #6.2 models
> hide #6.2 models
> show #6.3 models
> hide #6.3 models
> show #6.4 models
> hide #6.4 models
> show #6.5 models
> hide #6.5 models
> show #6.6 models
> hide #6.6 models
> show #6.7 models
> hide #6.7 models
> show #6.8 models
> hide #6.8 models
> show #6.9 models
> hide #6.9 models
> show #7.1 models
> hide #7.1 models
> show #7.2 models
> hide #7.2 models
> show #7.3 models
> hide #7.3 models
> show #7.4 models
> hide #7.4 models
> show #7.5 models
> hide #7.5 models
> show #7.6 models
> hide #7.6 models
> show #7.7 models
> hide #7.7 models
> show #7.8 models
> hide #7.8 models
> show #7.9 models
> hbonds #2.1-9#3.1-9#5.1-9#6.1-9#7.1-9 restrict #4#!1 reveal true
> interSubmodel true
46 hydrogen bonds found
> hide #7.9 models
> show #6.1 models
> hide #6.1 models
> show #2.1 models
> hide #2.1 models
> show #2.2 models
> hide #2.2 models
> show #2.5 models
> hide #2.5 models
> show #2.6 models
> hide #2.6 models
> show #2.7 models
> hide #2.7 models
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> hide #2.8 models
> show #2.9 models
> hide #2.9 models
> show #3.1 models
> hide #3.1 models
> show #3.2 models
> hide #3.2 models
> show #3.3 models
> hide #3.3 models
> show #3.4 models
> hide #3.4 models
> show #3.3 models
> hide #3.3 models
> show #3.2 models
> hide #3.2 models
> show #3.1 models
> hide #3.1 models
> show #2.9 models
> hide #2.9 models
> show #2.8 models
> hide #2.8 models
> show #2.7 models
> hide #2.7 models
> show #2.6 models
> hide #2.6 models
> show #2.6 models
> hide #2.6 models
> show #2.6 models
> hide #2.6 models
> show #2.5 models
> hide #2.5 models
> show #2.4 models
> hide #2.4 models
> show #3.2 models
> hide #3.2 models
> show #3.3 models
> hide #3.3 models
> show #3.4 models
> hide #3.4 models
> show #3.7 models
> hide #3.7 models
> show #3.8 models
> hide #3.8 models
> show #3.9 models
> hide #3.9 models
> show #5.1 models
> hide #5.1 models
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> hide #5.2 models
> show #5.3 models
> hide #5.3 models
> show #5.3 models
> hide #5.3 models
> show #5.4 models
> hide #5.4 models
> show #5.5 models
> hide #5.5 models
> show #5.6 models
> hide #5.6 models
> show #5.7 models
> hide #5.7 models
> show #5.8 models
> hide #5.8 models
> show #5.9 models
> hide #5.9 models
> show #6.2 models
> hide #6.2 models
> show #6.3 models
> hide #6.3 models
> show #6.2 models
> hide #6.2 models
> show #6.3 models
> hide #6.3 models
> show #6.4 models
> hide #6.4 models
> show #6.5 models
> hide #6.5 models
> show #6.7 models
> hide #6.7 models
> show #6.8 models
> hide #6.8 models
> show #6.9 models
> hide #6.9 models
> show #7.1 models
> hide #7.1 models
> show #7.2 models
> hide #7.2 models
> show #7.3 models
> hide #7.3 models
> show #7.4 models
> hide #7.4 models
> show #7.5 models
> hide #7.5 models
> show #7.6 models
> hide #7.6 models
> show #7.7 models
> hide #7.7 models
> show #7.8 models
> hide #7.8 models
> show #7.9 models
> open "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/R1_out.pdbqt"
> "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/R2_out.pdbqt"
> "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/R3_out.pdbqt"
> "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/R4_out.pdbqt"
> "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/R5_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/R1_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.0 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_10
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/R2_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.8 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_10
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_7 and C_14
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/R3_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.6 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_3 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_7
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_8 and O_16
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/R4_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.1 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and N_9
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/R5_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -6.1 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_7
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_7 and N_10
796 messages similar to the above omitted
Chain information for R1_out.pdb
---
Chain | Description
9.1/A 9.2/A 9.3/A 9.4/A 9.5/A 9.6/A 9.7/A 9.8/A 9.9/A | No description
available
Chain information for R2_out.pdb
---
Chain | Description
10.1/A 10.2/A 10.3/A 10.4/A 10.5/A 10.6/A 10.7/A 10.8/A 10.9/A | No
description available
Chain information for R3_out.pdb
---
Chain | Description
11.1/A 11.2/A 11.3/A 11.4/A 11.5/A 11.6/A 11.7/A 11.8/A 11.9/A | No
description available
Chain information for R4_out.pdb
---
Chain | Description
12.1/A 12.2/A 12.3/A 12.4/A 12.5/A 12.6/A 12.7/A 12.8/A 12.9/A | No
description available
Chain information for R5_out.pdb
---
Chain | Description
13.1/A 13.2/A 13.3/A 13.4/A 13.5/A 13.6/A 13.7/A 13.8/A 13.9/A | No
description available
Opened R1_out.pdbqt containing 9 structures (612 atoms, 612 bonds)
Opened R2_out.pdbqt containing 9 structures (603 atoms, 603 bonds)
Opened R3_out.pdbqt containing 9 structures (612 atoms, 612 bonds)
Opened R4_out.pdbqt containing 9 structures (639 atoms, 639 bonds)
Opened R5_out.pdbqt containing 9 structures (648 atoms, 648 bonds)
> ui tool show ViewDockX
> hide #7.9#!9.1-9#!10.1-9#!11.1-9#!12.1-9#!13.1-9 models
> show #7.9 models
> hide #7.9 models
> show #2.1 models
> hide #2.1 models
> show #7.1 models
> hide #7.1 models
> show #!9.1 models
> hide #!9.1 models
> show #!9.2 models
> hide #!9.2 models
> show #!9.3 models
> hide #!9.3 models
> show #!9.4 models
> hide #!9.4 models
> show #!9.5 models
> hide #!9.5 models
> show #!9.6 models
> hide #!9.6 models
> show #!9.5 models
> hide #!9.5 models
> show #!10.1 models
> hide #!10.1 models
> show #!10.2 models
> hide #!10.2 models
> show #!10.3 models
> hide #!10.3 models
> show #!10.4 models
> hide #!10.4 models
> show #!10.5 models
> hide #!10.5 models
> show #!10.6 models
> hide #!10.6 models
> show #!10.7 models
> hide #!10.7 models
> show #!10.8 models
> hide #!10.8 models
> show #!10.9 models
> hide #!10.9 models
> show #!11.1 models
> hide #!11.1 models
> show #!11.2 models
> hide #!11.2 models
> show #!11.3 models
> hide #!11.3 models
> show #!11.4 models
> hide #!11.4 models
> show #!11.5 models
> hide #!11.5 models
> show #!11.6 models
> hide #!11.6 models
> show #!11.7 models
> hide #!11.7 models
> show #!11.8 models
> hide #!11.8 models
> show #!11.9 models
> hide #!11.9 models
> show #!12.1 models
> hide #!12.1 models
> show #!12.2 models
> hide #!12.2 models
> show #!12.3 models
> hide #!12.3 models
> show #!12.4 models
> hide #!12.4 models
> show #!12.5 models
> hide #!12.5 models
> show #!12.6 models
> hide #!12.6 models
> show #!12.7 models
> hide #!12.7 models
> show #!12.8 models
> hide #!12.8 models
> show #!12.9 models
> hide #!12.9 models
> show #!13.1 models
> hide #!13.1 models
> show #!13.2 models
> hide #!13.2 models
> show #!13.3 models
> hide #!13.3 models
> show #!13.4 models
> hide #!7 models
> hide #!6 models
> hide #!5 models
> hide #!3 models
> hide #!10 models
> hide #!11 models
> hide #!12 models
> hide #!13.4 models
> hide #!13 models
> show #!9.1 models
> show #2.1 models
> hide #2.1 models
> show #2.2 models
> hide #2.2 models
> show #2.3 models
> hide #2.3 models
> show #2.2 models
> hide #2.2 models
> show #2.3 models
> show #2.4 models
> hide #2.3 models
> hide #2.4 models
> show #2.5 models
> hide #2.5 models
> show #2.6 models
> hide #2.6 models
> show #2.7 models
> hide #2.7 models
> show #3.1 models
> hide #3.1 models
> show #3.2 models
> hide #3.2 models
> show #3.3 models
> hide #3.3 models
> show #3.4 models
> hide #3.4 models
> show #3.5 models
> hide #3.5 models
> show #3.6 models
> hide #3.6 models
> show #3.8 models
> hide #!2 models
> hide #!9.1 models
> show #!9.8 models
> show #!9.9 models
> hide #!9.8 models
> show #!9.7 models
> hide #!9.7 models
> hide #!9.9 models
> show #!9.7 models
> hide #!9.7 models
> show #!9.6 models
> hide #!9.6 models
> show #!9.6 models
> close #2-3,5-8#9-13#9.1-9#10.1-9#11.1-9#12.1-9
> open "C:/Users/Lab User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-
> Ad_B1_1_out.pdbqt" "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-Ad_B1_2_out.pdbqt"
> "C:/Users/Lab User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-
> Ad_B1_3_out.pdbqt" "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-Ad_B1_4_out.pdbqt"
> "C:/Users/Lab User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-
> Ad_B1_5_out.pdbqt" "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-Ad_B1_6_out.pdbqt"
> "C:/Users/Lab User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-
> Ad_B1_7_out.pdbqt" "C:/Users/Lab
> User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-Ad_B1_8_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-Ad_B1_1_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.8 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
Ignored bad PDB record found on line 7
REMARK 3 A between atoms: C_11 and N_15
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-Ad_B1_2_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.1 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-Ad_B1_3_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.4 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-Ad_B1_4_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.1 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-Ad_B1_5_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.9 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 8 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
751 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-Ad_B1_6_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.8 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
Ignored bad PDB record found on line 7
REMARK 3 A between atoms: C_11 and N_15
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-Ad_B1_7_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.1 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
Ignored bad PDB record found on line 7
REMARK 3 A between atoms: C_11 and N_15
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-Ad_B1_8_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.2 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 8 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
751 messages similar to the above omitted
Chain information for WW-Ad_B1_1_out.pdb
---
Chain | Description
2.1/A 2.2/A 2.3/A 2.4/A 2.5/A 2.6/A 2.7/A 2.8/A 2.9/A | No description
available
Chain information for WW-Ad_B1_2_out.pdb
---
Chain | Description
3.1/A 3.2/A 3.3/A 3.4/A 3.5/A 3.6/A 3.7/A 3.8/A 3.9/A | No description
available
Chain information for WW-Ad_B1_3_out.pdb
---
Chain | Description
5.1/A 5.2/A 5.3/A 5.4/A 5.5/A 5.6/A 5.7/A 5.8/A 5.9/A | No description
available
Chain information for WW-Ad_B1_4_out.pdb
---
Chain | Description
6.1/A 6.2/A 6.3/A 6.4/A 6.5/A 6.6/A 6.7/A 6.8/A 6.9/A | No description
available
Chain information for WW-Ad_B1_5_out.pdb
---
Chain | Description
7.1/A 7.2/A 7.3/A 7.4/A 7.5/A 7.6/A 7.7/A 7.8/A 7.9/A | No description
available
Chain information for WW-Ad_B1_6_out.pdb
---
Chain | Description
8.1/A 8.2/A 8.3/A 8.4/A 8.5/A 8.6/A 8.7/A 8.8/A 8.9/A | No description
available
Chain information for WW-Ad_B1_7_out.pdb
---
Chain | Description
9.1/A 9.2/A 9.3/A 9.4/A 9.5/A 9.6/A 9.7/A 9.8/A 9.9/A | No description
available
Chain information for WW-Ad_B1_8_out.pdb
---
Chain | Description
10.1/A 10.2/A 10.3/A 10.4/A 10.5/A 10.6/A 10.7/A 10.8/A 10.9/A | No
description available
Opened WW-Ad_B1_1_out.pdbqt containing 9 structures (630 atoms, 657 bonds)
Opened WW-Ad_B1_2_out.pdbqt containing 9 structures (621 atoms, 648 bonds)
Opened WW-Ad_B1_3_out.pdbqt containing 9 structures (666 atoms, 693 bonds)
Opened WW-Ad_B1_4_out.pdbqt containing 9 structures (639 atoms, 666 bonds)
Opened WW-Ad_B1_5_out.pdbqt containing 9 structures (630 atoms, 657 bonds)
Opened WW-Ad_B1_6_out.pdbqt containing 9 structures (630 atoms, 657 bonds)
Opened WW-Ad_B1_7_out.pdbqt containing 9 structures (639 atoms, 666 bonds)
Opened WW-Ad_B1_8_out.pdbqt containing 9 structures (639 atoms, 666 bonds)
> ui tool show ViewDockX
> hide #!2.1-9#!3.1-9#!5.1-9#!6.1-9#!7.1-9#!8.1-9#!9.1-9#!10.1-9 models
> show #!2.1 models
> hide #!2.1 models
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> hide #!2.9 models
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> show #!6.1 models
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> show #!9.1 models
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> hide #!10.6 models
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> hide #!10.8 models
> show #!10.9 models
> close #3,5-10#3.1-9#5.1-9#6.1-9#7.1-9#8.1-9#9.1-9
> open "C:/Users/Lab User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-
> dMeAd_B1_1_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/.mgltools/PyRx/Macromolecules/SIRT6_Reduced_flex/WW-dMeAd_B1_1_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -6.7 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_13
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_33
Ignored bad PDB record found on line 7
REMARK 3 A between atoms: C_13 and N_17
796 messages similar to the above omitted
Chain information for WW-dMeAd_B1_1_out.pdb
---
Chain | Description
3.1/A 3.2/A 3.3/A 3.4/A 3.5/A 3.6/A 3.7/A 3.8/A 3.9/A | No description
available
Opened WW-dMeAd_B1_1_out.pdbqt containing 9 structures (648 atoms, 675 bonds)
> ui tool show ViewDockX
> hide #!3.1-9 models
> show #!3.1 models
> hide #!3.1 models
> show #!3.2 models
> hide #!3.2 models
> show #!3.3 models
> hide #!3.3 models
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> hide #!3.4 models
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> hide #!3.9 models
> show #!3.1 models
> hide #!3.1 models
> show #!2.1 models
> hide #!2.1 models
> show #!2.2 models
> hide #!2.2 models
> show #!2.1 models
> open "C:/Users/Lab User/Desktop/Docking/Results/Raphaels
> Ligands/Flex/R1_out.pdbqt" "C:/Users/Lab
> User/Desktop/Docking/Results/Raphaels Ligands/Flex/R2_out.pdbqt"
> "C:/Users/Lab User/Desktop/Docking/Results/Raphaels
> Ligands/Flex/R3_out.pdbqt" "C:/Users/Lab
> User/Desktop/Docking/Results/Raphaels Ligands/Flex/R4_out.pdbqt"
> "C:/Users/Lab User/Desktop/Docking/Results/Raphaels
> Ligands/Flex/R5_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Raphaels Ligands/Flex/R1_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.0 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_10
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Raphaels Ligands/Flex/R2_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.8 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_10
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_7 and C_14
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Raphaels Ligands/Flex/R3_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.6 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_3 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_7
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_8 and O_16
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Raphaels Ligands/Flex/R4_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.1 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and N_9
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Raphaels Ligands/Flex/R5_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -6.1 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 9
REMARK 1 A between atoms: C_2 and C_6
Ignored bad PDB record found on line 10
REMARK 2 A between atoms: C_6 and C_7
Ignored bad PDB record found on line 11
REMARK 3 A between atoms: C_7 and N_10
796 messages similar to the above omitted
Chain information for R1_out.pdb
---
Chain | Description
5.1/A 5.2/A 5.3/A 5.4/A 5.5/A 5.6/A 5.7/A 5.8/A 5.9/A | No description
available
Chain information for R2_out.pdb
---
Chain | Description
6.1/A 6.2/A 6.3/A 6.4/A 6.5/A 6.6/A 6.7/A 6.8/A 6.9/A | No description
available
Chain information for R3_out.pdb
---
Chain | Description
7.1/A 7.2/A 7.3/A 7.4/A 7.5/A 7.6/A 7.7/A 7.8/A 7.9/A | No description
available
Chain information for R4_out.pdb
---
Chain | Description
8.1/A 8.2/A 8.3/A 8.4/A 8.5/A 8.6/A 8.7/A 8.8/A 8.9/A | No description
available
Chain information for R5_out.pdb
---
Chain | Description
9.1/A 9.2/A 9.3/A 9.4/A 9.5/A 9.6/A 9.7/A 9.8/A 9.9/A | No description
available
Opened R1_out.pdbqt containing 9 structures (612 atoms, 612 bonds)
Opened R2_out.pdbqt containing 9 structures (603 atoms, 603 bonds)
Opened R3_out.pdbqt containing 9 structures (612 atoms, 612 bonds)
Opened R4_out.pdbqt containing 9 structures (639 atoms, 639 bonds)
Opened R5_out.pdbqt containing 9 structures (648 atoms, 648 bonds)
> ui tool show ViewDockX
> hide #!2.1#!5.1-9#!6.1-9#!7.1-9#!8.1-9#!9.1-9 models
> show #!2.1 models
> hide #!2.1 models
> show #!6.1 models
> hide #!6.1 models
> show #!6.2 models
> hide #!6.2 models
> show #!6.3 models
> hide #!6.3 models
> show #!6.4 models
> select down
Nothing selected
> hide #!6.4 models
> show #!6.5 models
> hide #!6.5 models
> show #!6.6 models
> hide #!6.6 models
> show #!6.7 models
> hide #!6.7 models
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> hide #!6.6 models
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> hide #!6.7 models
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> hide #!6.6 models
> show #!6.5 models
> hide #!6.5 models
> show #!6.6 models
> hide #!6.6 models
> show #!6.7 models
> hide #!6.7 models
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> hide #!6.8 models
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> hide #!6.9 models
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> hide #!6.8 models
> show #!6.7 models
> hide #!6.7 models
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> hide #!6.6 models
> show #!6.5 models
> hide #!6.5 models
> show #!6.4 models
> hide #!6.4 models
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> hide #!6.5 models
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> hide #!6.6 models
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> hide #!6.7 models
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> hide #!6.8 models
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> hide #!6.9 models
> show #!7.1 models
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> hide #!7.3 models
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> show #!8.1 models
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> hide #!8.7 models
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> hide #!8.9 models
> show #!9.1 models
> hide #!9.1 models
> show #!9.2 models
> hide #!9.2 models
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> hide #!9.3 models
> show #!9.4 models
> hide #!9.4 models
> show #!9.5 models
> hide #!9.5 models
> show #!9.6 models
> hide #!9.6 models
> show #!9.7 models
> hide #!9.7 models
> show #!9.8 models
> hide #!9.8 models
> show #!9.9 models
> hide #!9.9 models
> show #!2.1 models
> select down
Nothing selected
> hide #!2.1 models
> show #!2.1 models
> hide #!2.1 models
> show #!2.2 models
> select down
Nothing selected
> hide #!2.2 models
> show #!2.2 models
> hide #!2.2 models
> show #!2.3 models
> hide #!2.3 models
> show #!2.4 models
> hide #!2.4 models
> show #!2.5 models
> hide #!2.5 models
> show #!2.6 models
> hide #!2.6 models
> show #!2.7 models
> hide #!2.7 models
> show #!2.8 models
> hide #!2.8 models
> show #!2.9 models
> hide #!2.9 models
> show #!3.1 models
> hide #!3.1 models
> show #!3.2 models
> hide #!3.2 models
> show #!3.3 models
> hide #!3.3 models
> show #!3.4 models
> hide #!3.4 models
> show #!3.5 models
> hide #!3.5 models
> show #!3.4 models
> hide #!3.4 models
> show #!3.3 models
> hide #!3.3 models
> show #!3.2 models
> hide #!3.2 models
> show #!3.3 models
> hide #!3.3 models
> show #!3.4 models
> hide #!3.4 models
> show #!3.5 models
> hide #!3.5 models
> show #!3.6 models
> hide #!3.6 models
> show #!3.5 models
> hide #!3.5 models
> show #!3.4 models
> hide #!3.4 models
> show #!3.3 models
> hide #!3.3 models
> show #!3.2 models
> hide #!3.2 models
> show #!3.1 models
> hide #!3.1 models
> show #!2.9 models
> hide #!2.9 models
> show #!2.8 models
> hide #!2.8 models
> show #!2.7 models
> hide #!2.7 models
> show #!2.6 models
> hide #!2.6 models
> show #!2.5 models
> hide #!2.5 models
> show #!2.6 models
> hide #!2.6 models
> show #!2.7 models
> hide #!2.7 models
> show #!2.8 models
> hide #!2.8 models
> show #!2.9 models
> hide #!2.9 models
> show #!3.1 models
> hide #!3.1 models
> show #!3.2 models
> hide #!3.2 models
> show #!3.3 models
> hide #!3.3 models
> show #!3.4 models
> hide #!3.4 models
> show #!3.5 models
> hide #!3.5 models
> show #!3.6 models
> hide #!3.6 models
> show #!3.7 models
> select down
Nothing selected
> select down
Nothing selected
> hide #!3.7 models
> show #!3.2 models
> hide #!3.2 models
> show #!3.3 models
> hide #!3.3 models
> show #!3.2 models
> select down
Nothing selected
> hide #!3.2 models
> show #!3.1 models
> hide #!3.1 models
> show #!2.9 models
> hide #!2.9 models
> show #!2.8 models
> hide #!2.8 models
> show #!2.7 models
> hide #!2.7 models
> show #!2.6 models
> hide #!2.6 models
> show #!2.5 models
> hide #!2.5 models
> show #!2.4 models
> hide #!2.4 models
> show #!2.3 models
> hide #!2.3 models
> show #!2.2 models
> hide #!2.2 models
> show #!2.1 models
> hide #!2.1 models
> show #!5.1 models
> select down
Nothing selected
> hide #!5.1 models
> show #!5.1 models
> hide #!5.1 models
> show #!5.2 models
> hide #!5.2 models
> show #!5.3 models
> hide #!5.3 models
> show #!5.4 models
> hide #!5.4 models
> show #!5.5 models
> hide #!5.5 models
> show #!5.6 models
> hide #!5.6 models
> show #!5.7 models
> hide #!5.7 models
> show #!5.8 models
> hide #!5.8 models
> show #!5.9 models
> hide #!5.9 models
> show #!6.1 models
> hide #!6.1 models
> show #!6.2 models
> hide #!6.2 models
> show #!6.3 models
> hide #!6.3 models
> show #!6.4 models
> hide #!6.4 models
> show #!6.5 models
> hide #!6.5 models
> show #!6.6 models
> hide #!6.6 models
> show #!6.7 models
> hide #!6.7 models
> show #!6.8 models
> hide #!6.8 models
> show #!6.9 models
> hide #!6.9 models
> show #!7.1 models
> hide #!7.1 models
> show #!7.2 models
> hide #!7.2 models
> show #!7.3 models
> hide #!7.3 models
> show #!7.4 models
> hide #!7.4 models
> show #!7.5 models
> hide #!7.5 models
> show #!7.6 models
> close #2-3,5-9#2.1-9#3.1-9#5.1-9#6.1-9#7.1-9#8.1-9
> select add #4
39 atoms, 41 bonds, 1 residue, 1 model selected
> select subtract #4
Nothing selected
> select add #1
933 atoms, 948 bonds, 4 pseudobonds, 93 residues, 2 models selected
> select subtract #1
1 model selected
> select add #1
933 atoms, 948 bonds, 4 pseudobonds, 93 residues, 2 models selected
> select subtract #1
1 model selected
> open "C:/Users/Lab User/Desktop/Docking/Results/ReadMe.txt"
Unrecognized file suffix '.txt'
> open "C:/Users/Lab User/Desktop/Docking/Results/Bills Ligands/WW-
> Ad_B1_1_out.pdbqt" "C:/Users/Lab User/Desktop/Docking/Results/Bills
> Ligands/WW-Ad_B1_2_out.pdbqt" "C:/Users/Lab
> User/Desktop/Docking/Results/Bills Ligands/WW-Ad_B1_3_out.pdbqt"
> "C:/Users/Lab User/Desktop/Docking/Results/Bills Ligands/WW-
> Ad_B1_4_out.pdbqt" "C:/Users/Lab User/Desktop/Docking/Results/Bills
> Ligands/WW-Ad_B1_5_out.pdbqt" "C:/Users/Lab
> User/Desktop/Docking/Results/Bills Ligands/WW-Ad_B1_6_out.pdbqt"
> "C:/Users/Lab User/Desktop/Docking/Results/Bills Ligands/WW-
> Ad_B1_7_out.pdbqt" "C:/Users/Lab User/Desktop/Docking/Results/Bills
> Ligands/WW-Ad_B1_8_out.pdbqt" "C:/Users/Lab
> User/Desktop/Docking/Results/Bills Ligands/WW-dMeAd_B1_1_out.pdbqt"
> "C:/Users/Lab User/Desktop/Docking/Results/Bills Ligands/WW-
> dMeAd_B1_2_out.pdbqt" "C:/Users/Lab User/Desktop/Docking/Results/Bills
> Ligands/WW-dMeAd_B1_3_out.pdbqt" "C:/Users/Lab
> User/Desktop/Docking/Results/Bills Ligands/WW-dMeAd_B1_4_out.pdbqt"
> "C:/Users/Lab User/Desktop/Docking/Results/Bills Ligands/WW-
> dMeAd_B1_5_out.pdbqt" "C:/Users/Lab User/Desktop/Docking/Results/Bills
> Ligands/WW-dMeAd_B1_6_out.pdbqt" "C:/Users/Lab
> User/Desktop/Docking/Results/Bills Ligands/WW-dMeAd_B1_7_out.pdbqt"
> "C:/Users/Lab User/Desktop/Docking/Results/Bills Ligands/WW-
> dMeAd_B1_8_out.pdbqt"
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-Ad_B1_1_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.8 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
Ignored bad PDB record found on line 7
REMARK 3 A between atoms: C_11 and N_15
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-Ad_B1_2_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.1 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-Ad_B1_3_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.4 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-Ad_B1_4_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.1 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-Ad_B1_5_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.9 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 8 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
751 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-Ad_B1_6_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.8 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
Ignored bad PDB record found on line 7
REMARK 3 A between atoms: C_11 and N_15
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-Ad_B1_7_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.1 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
Ignored bad PDB record found on line 7
REMARK 3 A between atoms: C_11 and N_15
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-Ad_B1_8_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -8.2 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 8 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_11
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_31
751 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-dMeAd_B1_1_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -6.7 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_13
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_33
Ignored bad PDB record found on line 7
REMARK 3 A between atoms: C_13 and N_17
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-dMeAd_B1_2_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.2 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_13
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_33
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-dMeAd_B1_3_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -6.2 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_13
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_33
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-dMeAd_B1_4_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.0 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 9 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_13
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_33
778 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-dMeAd_B1_5_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.0 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 8 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_13
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_33
751 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-dMeAd_B1_6_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -6.9 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_13
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_33
Ignored bad PDB record found on line 7
REMARK 3 A between atoms: C_13 and N_17
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-dMeAd_B1_7_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -6.1 0.000 0.000
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_13
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_33
Ignored bad PDB record found on line 7
REMARK 3 A between atoms: C_13 and N_17
796 messages similar to the above omitted
Summary of feedback from opening C:/Users/Lab
User/Desktop/Docking/Results/Bills Ligands/WW-dMeAd_B1_8_out.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -7.3 0.000 0.000
Ignored bad PDB record found on line 3
REMARK 8 active torsions:
Ignored bad PDB record found on line 4
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 5
REMARK 1 A between atoms: C_1 and C_13
Ignored bad PDB record found on line 6
REMARK 2 A between atoms: C_5 and O_33
751 messages similar to the above omitted
Chain information for WW-Ad_B1_1_out.pdb
---
Chain | Description
2.1/A 2.2/A 2.3/A 2.4/A 2.5/A 2.6/A 2.7/A 2.8/A 2.9/A | No description
available
Chain information for WW-Ad_B1_2_out.pdb
---
Chain | Description
3.1/A 3.2/A 3.3/A 3.4/A 3.5/A 3.6/A 3.7/A 3.8/A 3.9/A | No description
available
Chain information for WW-Ad_B1_3_out.pdb
---
Chain | Description
5.1/A 5.2/A 5.3/A 5.4/A 5.5/A 5.6/A 5.7/A 5.8/A 5.9/A | No description
available
Chain information for WW-Ad_B1_4_out.pdb
---
Chain | Description
6.1/A 6.2/A 6.3/A 6.4/A 6.5/A 6.6/A 6.7/A 6.8/A 6.9/A | No description
available
Chain information for WW-Ad_B1_5_out.pdb
---
Chain | Description
7.1/A 7.2/A 7.3/A 7.4/A 7.5/A 7.6/A 7.7/A 7.8/A 7.9/A | No description
available
Chain information for WW-Ad_B1_6_out.pdb
---
Chain | Description
8.1/A 8.2/A 8.3/A 8.4/A 8.5/A 8.6/A 8.7/A 8.8/A 8.9/A | No description
available
Chain information for WW-Ad_B1_7_out.pdb
---
Chain | Description
9.1/A 9.2/A 9.3/A 9.4/A 9.5/A 9.6/A 9.7/A 9.8/A 9.9/A | No description
available
Chain information for WW-Ad_B1_8_out.pdb
---
Chain | Description
10.1/A 10.2/A 10.3/A 10.4/A 10.5/A 10.6/A 10.7/A 10.8/A 10.9/A | No
description available
Chain information for WW-dMeAd_B1_1_out.pdb
---
Chain | Description
11.1/A 11.2/A 11.3/A 11.4/A 11.5/A 11.6/A 11.7/A 11.8/A 11.9/A | No
description available
Chain information for WW-dMeAd_B1_2_out.pdb
---
Chain | Description
12.1/A 12.2/A 12.3/A 12.4/A 12.5/A 12.6/A 12.7/A 12.8/A 12.9/A | No
description available
Chain information for WW-dMeAd_B1_3_out.pdb
---
Chain | Description
13.1/A 13.2/A 13.3/A 13.4/A 13.5/A 13.6/A 13.7/A 13.8/A 13.9/A | No
description available
Chain information for WW-dMeAd_B1_4_out.pdb
---
Chain | Description
14.1/A 14.2/A 14.3/A 14.4/A 14.5/A 14.6/A 14.7/A 14.8/A 14.9/A | No
description available
Chain information for WW-dMeAd_B1_5_out.pdb
---
Chain | Description
15.1/A 15.2/A 15.3/A 15.4/A 15.5/A 15.6/A 15.7/A 15.8/A 15.9/A | No
description available
Chain information for WW-dMeAd_B1_6_out.pdb
---
Chain | Description
16.1/A 16.2/A 16.3/A 16.4/A 16.5/A 16.6/A 16.7/A 16.8/A 16.9/A | No
description available
Chain information for WW-dMeAd_B1_7_out.pdb
---
Chain | Description
17.1/A 17.2/A 17.3/A 17.4/A 17.5/A 17.6/A 17.7/A 17.8/A 17.9/A | No
description available
Chain information for WW-dMeAd_B1_8_out.pdb
---
Chain | Description
18.1/A 18.2/A 18.3/A 18.4/A 18.5/A 18.6/A 18.7/A 18.8/A 18.9/A | No
description available
Opened WW-Ad_B1_1_out.pdbqt containing 9 structures (630 atoms, 657 bonds)
Opened WW-Ad_B1_2_out.pdbqt containing 9 structures (621 atoms, 648 bonds)
Opened WW-Ad_B1_3_out.pdbqt containing 9 structures (666 atoms, 693 bonds)
Opened WW-Ad_B1_4_out.pdbqt containing 9 structures (639 atoms, 666 bonds)
Opened WW-Ad_B1_5_out.pdbqt containing 9 structures (630 atoms, 657 bonds)
Opened WW-Ad_B1_6_out.pdbqt containing 9 structures (630 atoms, 657 bonds)
Opened WW-Ad_B1_7_out.pdbqt containing 9 structures (639 atoms, 666 bonds)
Opened WW-Ad_B1_8_out.pdbqt containing 9 structures (639 atoms, 666 bonds)
Opened WW-dMeAd_B1_1_out.pdbqt containing 9 structures (648 atoms, 675 bonds)
Opened WW-dMeAd_B1_2_out.pdbqt containing 9 structures (639 atoms, 666 bonds)
Opened WW-dMeAd_B1_3_out.pdbqt containing 9 structures (684 atoms, 711 bonds)
Opened WW-dMeAd_B1_4_out.pdbqt containing 9 structures (657 atoms, 684 bonds)
Opened WW-dMeAd_B1_5_out.pdbqt containing 9 structures (648 atoms, 675 bonds)
Opened WW-dMeAd_B1_6_out.pdbqt containing 9 structures (648 atoms, 675 bonds)
Opened WW-dMeAd_B1_7_out.pdbqt containing 9 structures (657 atoms, 684 bonds)
Opened WW-dMeAd_B1_8_out.pdbqt containing 9 structures (657 atoms, 684 bonds)
> ui tool show ViewDockX
> hide
> #!2.1-9#!3.1-9#!5.1-9#!6.1-9#!7.1-9#!8.1-9#!9.1-9#!10.1-9#!11.1-9#!12.1-9#!13.1-9#!14.1-9#!15.1-9#!16.1-9#!17.1-9#!18.1-9
> models
> show #!2.1 models
> hide #!2.1 models
> show #!3.1 models
> hide #!3.1 models
> show #!5.1 models
> hide #!5.1 models
> show #!5.2 models
> hide #!5.2 models
> show #!5.3 models
> hide #!5.3 models
> show #!5.4 models
> hide #!5.4 models
> show #!5.5 models
> hide #!5.5 models
> show #!5.6 models
> hide #!5.6 models
> show #!5.7 models
> hide #!5.7 models
> show #!5.8 models
> hide #!5.8 models
> show #!5.9 models
> hide #!5.9 models
> show #!5.8 models
> hide #!5.8 models
> show #!5.7 models
> hide #!5.7 models
> show #!5.6 models
> hide #!5.6 models
> show #!5.5 models
> hide #!5.5 models
> show #!5.4 models
> hide #!5.4 models
> show #!5.3 models
> hide #!5.3 models
> show #!5.2 models
> hide #!5.2 models
> show #!5.1 models
> hide #!5.1 models
> show #!5.7 models
> save "C:/Users/Lab User/Desktop/Docking/Results/Bills Ligands/Ad
> Results.cxs" includeMaps true
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 272, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 314, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D125626EB0> '1'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001D1596D6DF0> -> <chimerax.viewdockx.tool.TableTool object at
0x000001D125626EB0> '1': Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D125626EB0> '1'
ValueError: error processing: 'tools' -> -> '1': Error while saving session
data for 'tools' -> -> '1'
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 285, in process
data = sm.take_snapshot(obj, session, self.state_flags)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 272, in take_snapshot
self.add_webview_state(data)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\viewdockx\tool.py", line 314, in add_webview_state
event_loop.exec_()
AttributeError: 'QEventLoop' object has no attribute 'exec_'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 262, in discovery
self.processed[key] = self.process(obj, parents)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 290, in process
raise RuntimeError(msg) from e
RuntimeError: Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D125626EB0> '1'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 116, in <lambda>
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 127, in show_save_file_dialog
_dlg.display(session, **kw)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 51, in display
run(session, cmd)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 90, in provider_save
saver_info.save(session, path, **provider_kw)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core_formats\\__init__.py", line 84, in save
return cxs_save(session, path, **kw)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 896, in save
session.save(output, version=version, include_maps=include_maps)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 625, in save
mgr.discovery(self._state_containers)
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
ValueError: error processing: 'tools' -> <chimerax.core.tools.Tools object at
0x000001D1596D6DF0> -> <chimerax.viewdockx.tool.TableTool object at
0x000001D125626EB0> '1': Error while saving session data for 'tools' ->
<chimerax.core.tools.Tools object at 0x000001D1596D6DF0> ->
<chimerax.viewdockx.tool.TableTool object at 0x000001D125626EB0> '1'
ValueError: error processing: 'tools' -> -> '1': Error while saving session
data for 'tools' -> -> '1'
File "C:\Program Files\ChimeraX 1.4rc202205290614\bin\lib\site-
packages\chimerax\core\session.py", line 266, in discovery
raise ValueError("error processing: %s: %s" % (_obj_stack(parents, obj), e))
See log for complete Python traceback.
OpenGL version: 3.3.0 - Build 30.0.101.1340
OpenGL renderer: Intel(R) UHD Graphics 770
OpenGL vendor: Intel
Python: 3.9.11
Locale: en_US.cp1252
Qt version: PyQt6 6.3.0, Qt 6.3.0
Qt runtime version: 6.3.0
Qt platform: windows
Manufacturer: Micro-Star International Co., Ltd.
Model: MS-7D30
OS: Microsoft Windows 11 Pro (Build 22000)
Memory: 68,501,233,664
MaxProcessMemory: 137,438,953,344
CPU: 24 12th Gen Intel(R) Core(TM) i9-12900K
OSLanguage: en-US
Installed Packages:
alabaster: 0.7.12
appdirs: 1.4.4
Babel: 2.10.1
backcall: 0.2.0
blockdiag: 3.0.0
certifi: 2022.5.18.1
cftime: 1.6.0
charset-normalizer: 2.0.12
ChimeraX-AddCharge: 1.2.3
ChimeraX-AddH: 2.1.11
ChimeraX-AlignmentAlgorithms: 2.0
ChimeraX-AlignmentHdrs: 3.2.1
ChimeraX-AlignmentMatrices: 2.0
ChimeraX-Alignments: 2.4.3
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.0.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.0
ChimeraX-Atomic: 1.39.1
ChimeraX-AtomicLibrary: 7.0
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.1
ChimeraX-BasicActions: 1.1
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.1.1
ChimeraX-BondRot: 2.0
ChimeraX-BugReporter: 1.0
ChimeraX-BuildStructure: 2.7
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.1
ChimeraX-ButtonPanel: 1.0
ChimeraX-CageBuilder: 1.0
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.2
ChimeraX-ChemGroup: 2.0
ChimeraX-Clashes: 2.2.4
ChimeraX-ColorActions: 1.0
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.1
ChimeraX-CommandLine: 1.2.3
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0
ChimeraX-Core: 1.4rc202205290614
ChimeraX-CoreFormats: 1.1
ChimeraX-coulombic: 1.3.2
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0
ChimeraX-DataFormats: 1.2.2
ChimeraX-Dicom: 1.1
ChimeraX-DistMonitor: 1.1.5
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ExperimentalCommands: 1.0
ChimeraX-FileHistory: 1.0
ChimeraX-FunctionKey: 1.0
ChimeraX-Geometry: 1.2
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.1
ChimeraX-Hbonds: 2.1.2
ChimeraX-Help: 1.2
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.1
ChimeraX-ItemsInspection: 1.0
ChimeraX-Label: 1.1.1
ChimeraX-ListInfo: 1.1.1
ChimeraX-Log: 1.1.5
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.8.1
ChimeraX-Map: 1.1
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0
ChimeraX-MapFilter: 2.0
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1
ChimeraX-Markers: 1.0
ChimeraX-Mask: 1.0
ChimeraX-MatchMaker: 2.0.6
ChimeraX-MDcrds: 2.6
ChimeraX-MedicalToolbar: 1.0.1
ChimeraX-Meeting: 1.0
ChimeraX-MLP: 1.1
ChimeraX-mmCIF: 2.7
ChimeraX-MMTF: 2.1
ChimeraX-Modeller: 1.5.5
ChimeraX-ModelPanel: 1.3.2
ChimeraX-ModelSeries: 1.0
ChimeraX-Mol2: 2.0
ChimeraX-Morph: 1.0
ChimeraX-MouseModes: 1.1
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nucleotides: 2.0.2
ChimeraX-OpenCommand: 1.9
ChimeraX-PDB: 2.6.6
ChimeraX-PDBBio: 1.0
ChimeraX-PDBLibrary: 1.0.2
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1
ChimeraX-PubChem: 2.1
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1
ChimeraX-RemoteControl: 1.0
ChimeraX-ResidueFit: 1.0
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: 2.6
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0
ChimeraX-Shortcuts: 1.1
ChimeraX-ShowAttr: 1.0
ChimeraX-ShowSequences: 1.0
ChimeraX-SideView: 1.0
ChimeraX-Smiles: 2.1
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.8
ChimeraX-STL: 1.0
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.0.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0
ChimeraX-SwapAA: 2.0
ChimeraX-SwapRes: 2.1.1
ChimeraX-TapeMeasure: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.1.1
ChimeraX-ToolshedUtils: 1.2.1
ChimeraX-Tug: 1.0
ChimeraX-UI: 1.18.2
ChimeraX-uniprot: 2.2
ChimeraX-UnitCell: 1.0
ChimeraX-ViewDockX: 1.1.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0
ChimeraX-WebServices: 1.1.0
ChimeraX-Zone: 1.0
colorama: 0.4.4
comtypes: 1.1.10
cxservices: 1.2
cycler: 0.11.0
Cython: 0.29.26
debugpy: 1.6.0
decorator: 5.1.1
docutils: 0.17.1
entrypoints: 0.4
filelock: 3.4.2
fonttools: 4.33.3
funcparserlib: 1.0.0
grako: 3.16.5
h5py: 3.7.0
html2text: 2020.1.16
idna: 3.3
ihm: 0.27
imagecodecs: 2021.11.20
imagesize: 1.3.0
ipykernel: 6.6.1
ipython: 7.31.1
ipython-genutils: 0.2.0
jedi: 0.18.1
Jinja2: 3.0.3
jupyter-client: 7.1.0
jupyter-core: 4.10.0
kiwisolver: 1.4.2
line-profiler: 3.4.0
lxml: 4.7.1
lz4: 3.1.10
MarkupSafe: 2.1.1
matplotlib: 3.5.1
matplotlib-inline: 0.1.3
msgpack: 1.0.3
nest-asyncio: 1.5.5
netCDF4: 1.5.8
networkx: 2.6.3
numexpr: 2.8.1
numpy: 1.22.1
openvr: 1.16.802
packaging: 21.3
ParmEd: 3.4.3
parso: 0.8.3
pickleshare: 0.7.5
Pillow: 9.0.1
pip: 21.3.1
pkginfo: 1.8.2
prompt-toolkit: 3.0.29
psutil: 5.9.0
pycollada: 0.7.2
pydicom: 2.2.2
Pygments: 2.11.2
PyOpenGL: 3.1.5
PyOpenGL-accelerate: 3.1.5
pyparsing: 3.0.9
PyQt6-commercial: 6.3.0
PyQt6-Qt6: 6.3.0
PyQt6-sip: 13.3.1
PyQt6-WebEngine-commercial: 6.3.0
PyQt6-WebEngine-Qt6: 6.3.0
python-dateutil: 2.8.2
pytz: 2022.1
pywin32: 303
pyzmq: 23.1.0
qtconsole: 5.3.0
QtPy: 2.1.0
RandomWords: 0.3.0
requests: 2.27.1
scipy: 1.7.3
setuptools: 59.8.0
sfftk-rw: 0.7.2
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
Sphinx: 4.3.2
sphinx-autodoc-typehints: 1.15.2
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
suds-community: 1.0.0
tables: 3.7.0
tifffile: 2021.11.2
tinyarray: 1.2.4
tornado: 6.1
traitlets: 5.1.1
urllib3: 1.26.9
wcwidth: 0.2.5
webcolors: 1.11.1
wheel: 0.37.1
wheel-filename: 1.3.0
WMI: 1.5.1
Change History (6)
comment:1 by , 3 years ago
| Cc: | added |
|---|---|
| Component: | Unassigned → Sessions |
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → ViewDockX saving session: 'QEventLoop' object has no attribute 'exec_' |
comment:2 by , 3 years ago
Just to correct my mental model, why is it legal for us to keep calling exec_() in different parts of the codebase? I thought the only QEventLoop was the main loop in src/ui/gui.py
comment:3 by , 3 years ago
Conrad was a big fan of writing interfaces in HTML instead of Qt. This means that the interface state resides in the QWebEngine process. In order to save the state of the interface, some Javascript needs to run and apparently Javascript callbacks occur as part of the event loop (at least, in Qt 5.9) so in order to save the interface state the tool's take_snapshot method has to run an event loop. Not sure if this is still the state of affairs in Qt 6, but it would be unsuprising if it were. This is all explained in the comment in add_webview_state() in tool.py.
comment:4 by , 3 years ago
| Cc: | added |
|---|
comment:5 by , 3 years ago
Why hasn't this been fixed yet? Isn't a matter of just removing an underscore character? Then the daily build will be able to save sessions when the ViewDockX tool is in use.
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Reported by William Weigel
Basically the same problem as #7123 (which was for the Basic Actions tool). Grepping the source, this seems to be the last instance of this issue.