Opened 6 years ago
Closed 6 years ago
#2838 closed defect (fixed)
Build Structure executing old (Chimera1) code
Reported by: | Owned by: | pett | |
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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 |
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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 |
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Status: | accepted → closed |
Summary: | Build Structure execution old (Chimera1) code → Build Structure executing old (Chimera1) code |
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