Opened 9 years ago

Closed 9 years ago

#353 closed defect (fixed)

fitmap symmetric error

Reported by: Elaine Meng Owned by: Tom Goddard
Priority: major Milestone:
Component: Volume Data Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

If I open the attached map (D2 symmetry) and then use commands

vol #1 level .008 color 50,50,50,50
open 1gcn
fit #2 in #1 sym t res 5

Log says:
fitmap #2 inMap #1 symmetric true resolution 5
Traceback (most recent call last):
File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.5/lib/python3.5/site-packages/chimerax/cmd_line/gui.py", line 167, in execute
cmd.run(cmd_text)
File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.5/lib/python3.5/site-packages/chimerax/core/commands/cli.py", line 2200, in run
results.append(ci.function(session, kw_args))
File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.5/lib/python3.5/site-packages/chimerax/core/map/fit/fitcmd.py", line 121, in fitmap
atoms, max_steps, grid_step_min, grid_step_max, log)]
File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.5/lib/python3.5/site-packages/chimerax/core/map/fit/fitcmd.py", line 320, in fit_map_in_symmetric_map
indices = F.asymmetric_unit_points(points, refpt, symmetries)
File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.5/lib/python3.5/site-packages/chimerax/core/map/fit/fitmap.py", line 801, in asymmetric_unit_points
srefpt = sym * refpt
ValueError: operands could not be broadcast together with shapes (3,4) (3,)

Attachments (1)

emdb8191-D2.cmp (25.1 MB ) - added by Elaine Meng 9 years ago.

Change History (3)

by Elaine Meng, 9 years ago

Attachment: emdb8191-D2.cmp added

comment:1 by Elaine Meng, 9 years ago

Maybe something specific to that map. I tried with other maps assigned symmetry directly in ChimeraX with the volume command (without saving to a file and reading back in) and it worked. Could not test writing out and reading back into ChimeraX because cmap writing is currently broken.

comment:2 by Tom Goddard, 9 years ago

Resolution: fixed
Status: newclosed

Fixed.

Problem was Chimera map file reader did not read symmetries into correct data structures.

Also fixed writing of Chimera map files. Was giving error trying to get the ChimeraX version number to put in the file header.

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