[Chimera-users] pythonic version of fitmap tool
Tom Goddard
goddard at sonic.net
Tue Oct 25 10:49:05 PDT 2016
Hi Michał,
The fitmap code is in your Chimera distribution in
chimera/share/FitMap
The algorithm code is in fitmap.py and the command parsing is in fitcmd.py. There is a Python script fitnogui.py showing how to use this on the Chimera Python scripts page
http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts <http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts>
http://plato.cgl.ucsf.edu/trac/chimera/attachment/wiki/Scripts/fitnogui.py <http://plato.cgl.ucsf.edu/trac/chimera/attachment/wiki/Scripts/fitnogui.py>
You probably want to use this with the Chimera Python “chimera --nogui fitnogui.py” because it uses C++ compiled libraries compiled for the Chimera Python.
Tom
> On Oct 25, 2016, at 5:48 AM, Michał Kadlof <m.kadlof at cent.uw.edu.pl> wrote:
>
> Is there any pythonic way of running fitmap tool? I would like to use it as a function that return parameters that I can assign to variable without parsing the output. I didn't find anything similar in Midas module.
>
> --
> best wishes,
> Michał Kadlof <m.kadlof at cent.uw.edu.pl <mailto:m.kadlof at cent.uw.edu.pl>>
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