Opened 6 years ago

Closed 6 years ago

#2346 closed defect (fixed)

ViewDockX error if non-structures open

Reported by: Elaine Meng Owned by: Conrad Huang
Priority: normal Milestone:
Component: Surface/Binding Analysis Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Darwin-17.7.0-x86_64-i386-64bit
ChimeraX Version: 0.91 (2019-08-21)
Description
using "molmap" after starting ViewDockX gives traceback

open 121p
open http://www.cgl.ucsf.edu/home/meng/chimerax/vdocs/user/formats/dock4.mol2
viewdockx
molmap ligand 8

Log:
Startup Messages  
---  
warning | 'clip' is a prefix of an existing command 'clipper'  
  
UCSF ChimeraX version: 0.91 (2019-08-21)  
© 2016-2019 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open 121p format mmCIF fromDatabase pdb

121p title:  
Struktur und guanosintriphosphat-hydrolysemechanismus des C-terminal
verkuerzten menschlichen krebsproteins P21-H-ras [more info...]  
  
Chain information for 121p #1  
---  
Chain | Description  
A | H-ras P21 protein  
  
Non-standard residues in 121p #1  
---  
GCP — phosphomethylphosphonic acid guanylate ester  
MG — magnesium ion  
  
121p mmCIF Assemblies  
---  
1| author_defined_assembly  
  
  

> molmap ligand 8

> close session

> open 121p

121p title:  
Struktur und guanosintriphosphat-hydrolysemechanismus des C-terminal
verkuerzten menschlichen krebsproteins P21-H-ras [more info...]  
  
Chain information for 121p #1  
---  
Chain | Description  
A | H-ras P21 protein  
  
Non-standard residues in 121p #1  
---  
GCP — phosphomethylphosphonic acid guanylate ester  
MG — magnesium ion  
  
121p mmCIF Assemblies  
---  
1| author_defined_assembly  
  
  

> open /Users/meng/Desktop/chidata/ras.mol2

Opened ras.mol2 containing 30 structures (744 atoms, 763 bonds)  

> viewdockx

> molmap ligand 8

Traceback (most recent call last):  
File
"/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/triggerset.py", line 130, in invoke  
return self._func(self._name, data)  
File
"/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/viewdockx/tool.py", line 165, in _update_display  
onoff = json.dumps(self._make_display(trigger_data))  
File
"/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/viewdockx/tool.py", line 175, in _make_display  
for s in structures]  
File
"/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/viewdockx/tool.py", line 175, in <listcomp>  
for s in structures]  
AttributeError: 'VolumeSurface' object has no attribute 'atomspec'  
  
Error processing trigger "model display changed":  
AttributeError: 'VolumeSurface' object has no attribute 'atomspec'  
  
File
"/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/viewdockx/tool.py", line 175, in  
for s in structures]  
  
See log for complete Python traceback.  
  




OpenGL version: 4.1 NVIDIA-10.32.0 355.11.10.10.40.102
OpenGL renderer: NVIDIA GeForce GTX 675MX OpenGL Engine
OpenGL vendor: NVIDIA Corporation

Change History (2)

comment:1 by pett, 6 years ago

Component: UnassignedSurface/Binding Analysis
Owner: set to Conrad Huang
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionViewDockX error if non-structures open

comment:2 by Conrad Huang, 6 years ago

Resolution: fixed
Status: assignedclosed

Fixed in 7ae015db. ViewDockX was not ignoring changes to models that are not in its own set of models.

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