Opened 8 years ago
Closed 8 years ago
#745 closed defect (fixed)
"hbonds" doesn't like ensembles, I guess
Reported by: | Elaine Meng | Owned by: | Eric Pettersen |
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Priority: | major | Milestone: | |
Component: | Structure Analysis | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
I tried 2 different ensembles, seemingly unrelated: 1g1p and 2nbk
Open either one of those, and try hbonds on even just the first submodel:
hb spec #1.1
hbonds spec #1.1
75 hydrogen bonds found
Traceback (most recent call last):
File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/cmd_line/tool.py", line 178, in execute
cmd.run(cmd_text)
File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/commands/cli.py", line 2366, in run
result = ci.function(session, kw_args)
File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/hbonds/cmd.py", line 133, in cmd_hbonds
sqdist = h.scene_coord.sqdistance(acc.scene_coord)
AttributeError: 'numpy.ndarray' object has no attribute 'sqdistance'
Change History (3)
comment:1 by , 8 years ago
comment:2 by , 8 years ago
Status: | assigned → accepted |
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comment:3 by , 8 years ago
Resolution: | → fixed |
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Status: | accepted → closed |
I also get this error if I open the ensemble as a trajectory instead, e.g.
open 2nbk coord true
hb