Opened 6 years ago
Closed 6 years ago
#2099 closed defect (fixed)
Error saving mmcif with relModel option
Reported by: | Owned by: | Greg Couch | |
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Priority: | normal | Milestone: | |
Component: | Input/Output | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: Darwin-18.6.0-x86_64-i386-64bit ChimeraX Version: 0.91 (2019-06-20) Description Saving model as mmcif using relModel option. Log: UCSF ChimeraX version: 0.91 (2019-06-20) © 2016-2019 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open /Users/goddard/ucsf/chimerax/src/bundles/segger/test.cxs format session Summary of feedback from opening /Users/goddard/ucsf/chimerax/src/bundles/segger/test.cxs --- warning | Unable to restore "SchemesManager" object opened ChimeraX session > ui mousemode rightMode "translate selected models" > select /A:464@CA 1 atom, 1 model selected > fitmap #2 inMap #1 No atoms or maps for #2 > fitmap #3 inMap #1 Fit molecule 1grl (#3) to map 1080 (#1) using 4182 atoms average map value = 1.359, steps = 116 shifted from previous position = 17.9 rotated from previous position = 76.5 degrees atoms outside contour = 777, contour level = 1.0158 Position of 1grl (#3) relative to 1080 (#1) coordinates: Matrix rotation and translation 0.23473368 -0.97036103 -0.05744179 8.89551209 0.97199781 0.23364166 0.02513613 40.97958775 -0.01097033 -0.06173360 0.99803237 0.12626413 Axis -0.04466641 -0.02389456 0.99871616 Axis point -21.54839580 26.10360575 0.00000000 Rotation angle (degrees) 76.51423003 Shift along axis -1.25041764 > save /Users/goddard/Desktop/test.cif models #3 relModel #1 Traceback (most recent call last): File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site- packages/chimerax/cmd_line/tool.py", line 254, in execute cmd.run(cmd_text) File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2641, in run result = ci.function(session, **kw_args) File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site- packages/chimerax/core/commands/save.py", line 61, in save fmt.export(session, filename, fmt.nicknames[0], **kw) File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site- packages/chimerax/core/io.py", line 213, in export result = self.export_func(session, path, **kw) File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site- packages/chimerax/atomic/mmcif/__init__.py", line 61, in save_file return mmcif_write.write_mmcif(session, path, models=models, rel_model=rel_model) File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site- packages/chimerax/atomic/mmcif/mmcif_write.py", line 124, in write_mmcif save_structure(session, f, models, [xforms[m] for m in models], used_data_names) File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site- packages/chimerax/atomic/mmcif/mmcif_write.py", line 533, in save_structure atom_site_residue(r, seq_id, asym_id, entity_id, model_num, xform) File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site- packages/chimerax/atomic/mmcif/mmcif_write.py", line 506, in atom_site_residue if xform: ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all() ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all() File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site- packages/chimerax/atomic/mmcif/mmcif_write.py", line 506, in atom_site_residue if xform: See log for complete Python traceback. OpenGL version: 4.1 ATI-2.9.26 OpenGL renderer: AMD Radeon Pro 580 OpenGL Engine OpenGL vendor: ATI Technologies Inc.
Change History (2)
comment:1 by , 6 years ago
Component: | Unassigned → Input/Output |
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Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → Error saving mmcif with relModel option |
comment:2 by , 6 years ago
Resolution: | → fixed |
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Status: | assigned → closed |
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