Opened 6 years ago
Closed 6 years ago
#2838 closed defect (fixed)
Build Structure executing old (Chimera1) code
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Structure Editing | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: Darwin-19.3.0-x86_64-i386-64bit
ChimeraX Version: 0.92 (2020-02-12)
Description
Tried phosphorylating a serine with Build Structure. Changing the H to a P worked, but then trying to change the first H on the new P to an O gave this error when I pressed Apply in Build Structure. The O got added, but looks like the bond length is wrong, probably due to this error.
Log:
Startup Messages
---
warning | 'clip' is a prefix of an existing command 'clipper'
UCSF ChimeraX version: 0.92 (2020-02-12)
© 2016-2020 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open 3ajo format mmCIF fromDatabase pdb
3ajo title:
Crystal structure of wild-type human ferritin H chain [more info...]
Chain information for 3ajo #1
---
Chain | Description
A | Ferritin heavy chain
Non-standard residues in 3ajo #1
---
MG — magnesium ion
3ajo mmCIF Assemblies
---
1| author_and_software_defined_assembly
> addh
Summary of feedback from adding hydrogens to 3ajo #1
---
notes | Termini for 3ajo (#1) chain A determined from SEQRES records
Chain-initial residues that are actual N termini:
Chain-initial residues that are not actual N termini: /A THR 5
Chain-final residues that are actual C termini:
Chain-final residues that are not actual C termini: /A GLY 176
806 hydrogen bonds
Adding 'H' to /A THR 5
/A GLY 176 is not terminus, removing H atom from 'C'
1815 hydrogens added
> show :SER
> select /A:36@HG
1 atom, 1 model selected
> toolshed show "Build Structure"
> build modify /A:36@HG P 4 geometry tetrahedral name P1 resName UNK
> select /A:36@H11
1 atom, 1 model selected
> build modify /A:36@H11 O 4 geometry tetrahedral name O1
Traceback (most recent call last):
File "/Users/goddard/Desktop/ChimeraX Feb 12
2020.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/build_structure/tool.py", line 137, in <lambda>
apply_but.clicked.connect(lambda checked: self._ms_apply_cb())
File "/Users/goddard/Desktop/ChimeraX Feb 12
2020.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/build_structure/tool.py", line 298, in _ms_apply_cb
run(self.session, cmd)
File "/Users/goddard/Desktop/ChimeraX Feb 12
2020.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/commands/run.py", line 31, in run
results = command.run(text, log=log)
File "/Users/goddard/Desktop/ChimeraX Feb 12
2020.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/commands/cli.py", line 2837, in run
result = ci.function(session, **kw_args)
File "/Users/goddard/Desktop/ChimeraX Feb 12
2020.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/build_structure/cmd.py", line 19, in cmd_modify_atom
return modify_atom(*args, **kw)
File "/Users/goddard/Desktop/ChimeraX Feb 12
2020.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/build_structure/mod.py", line 156, in modify_atom
else gen_atom_name(hydrogen, atom.residue)
File "/Users/goddard/Desktop/ChimeraX Feb 12
2020.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/struct_edit.py", line 252, in gen_atom_name
if name not in residue.atomsMap:
File "/Users/goddard/Desktop/ChimeraX Feb 12
2020.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/attr_registration.py", line 39, in _getattr_
return look_in_class._attr_registration.get_attr(attr_name)
File "/Users/goddard/Desktop/ChimeraX Feb 12
2020.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/attr_registration.py", line 67, in get_attr
raise AttributeError("'%s' object has no attribute '%s'" %
(self.class_.__name__, attr_name)) from None
AttributeError: 'Residue' object has no attribute 'atomsMap'
AttributeError: 'Residue' object has no attribute 'atomsMap'
File "/Users/goddard/Desktop/ChimeraX Feb 12
2020.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/attr_registration.py", line 67, in get_attr
raise AttributeError("'%s' object has no attribute '%s'" %
(self.class_.__name__, attr_name)) from None
See log for complete Python traceback.
OpenGL version: 4.1 ATI-3.5.5
OpenGL renderer: AMD Radeon Pro Vega 20 OpenGL Engine
OpenGL vendor: ATI Technologies Inc.
Change History (2)
comment:1 by , 6 years ago
| Component: | Unassigned → Structure Editing |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Build Structure execution old (Chimera1) code |
comment:2 by , 6 years ago
| Resolution: | → fixed |
|---|---|
| Status: | accepted → closed |
| Summary: | Build Structure execution old (Chimera1) code → Build Structure executing old (Chimera1) code |
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