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Opened 3 years ago
Closed 3 years ago
#7202 closed defect (duplicate)
ViewDockX saving session: 'QEventLoop' object has no attribute 'exec_'
| Reported by: | Owned by: | Zach Pearson | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Sessions | Version: | |
| Keywords: | Cc: | ||
| 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
(Describe the actions that caused this problem to occur here)
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
> 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 #3.3 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
> show #5.2 models
> 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 #!2.7 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
> show #!6.7 models
> hide #!6.7 models
> show #!6.6 models
> hide #!6.6 models
> show #!6.5 models
> hide #!6.5 models
> show #!6.6 models
> 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
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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
> show #!6.8 models
> hide #!6.8 models
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> hide #!6.9 models
> show #!7.1 models
> hide #!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 #!8.8 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
> 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 #!9.7 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 (2)
comment:1 by , 3 years ago
| 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
| Resolution: | → duplicate |
|---|---|
| Status: | assigned → closed |
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