[chimerax-users] Color electrostatic ValueError

[Tom Goddard]

Hi Maria,

  This is a bug in ChimeraX.  The thing to do is hit the "Report Bug" button when the error dialog appears.  Whenever ChimeraX shows an error dialog it is best for us if you hit the Report Bug button.  But from the one line of the error you provide, I can see in our source code the bug was already fixed.  The fix is not in ChimeraX 1.0 but is in the daily builds.  So just get the ChimeraX daily build and your file will hopefully load.

	Tom

> On Jul 14, 2020, at 4:19 PM, Maria Maldonado <mmaldo at ucdavis.edu> wrote:
> 
> 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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