[chimerax-users] Color electrostatic ValueError

[Maria Maldonado]

Hello ChimeraX team,

I was hoping you could help me with a python error I get when trying to use the color electrostatic command.

I have my protein surface and my electrostatic map from Delphi in cube format. When I run “color electrostatic #1 map #2  palette -10,red:0,white:10,blue”, I get long error ending in “ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

File "/programs/i386-mac/chimerax/0.91/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-packages/chimerax/map/data/gaussian/gaussian_format.py", line 120, in matrix
if self.matrices == None:

See log for complete Python traceback.” (I can send you the full error if useful.)

I don’t get the error if I use a Delphi .phi file. However, the .phi files from this Delphi version have a bug that distorts the map, so the Delphi developers recommended using the .cube format instead. (The newer version of Delphi does not seem available for Mac at the moment.)

Is the ValueError to do with ChimeraX or is it something to do with the .cube files? Do you have any suggestions as to how to solve this?

Thank you very much for all your help,
Maria


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