<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Hi <span style="font-family: monospace, monospace;" class="">Michał,</span><div class=""><font face="monospace, monospace" class=""><br class=""></font></div><div class=""><font face="monospace, monospace" class=""> The fitmap code is in your Chimera distribution in</font></div><div class=""><font face="monospace, monospace" class=""><br class=""></font></div><div class=""><font face="monospace, monospace" class=""><span class="Apple-tab-span" style="white-space:pre"> </span>chimera/share/FitMap</font></div><div class=""><font face="monospace, monospace" class=""><br class=""></font></div><div class=""><font face="monospace, monospace" class="">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</font></div><div class=""><font face="monospace, monospace" class=""><br class=""></font></div><div class=""><font face="monospace, monospace" class=""><span class="Apple-tab-span" style="white-space:pre"> </span><a href="http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts" class="">http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts</a></font></div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><font face="monospace, monospace" class=""><span class="Apple-tab-span" style="white-space:pre"> </span><a href="http://plato.cgl.ucsf.edu/trac/chimera/attachment/wiki/Scripts/fitnogui.py" class="">http://plato.cgl.ucsf.edu/trac/chimera/attachment/wiki/Scripts/fitnogui.py</a></font></div><div class=""><font face="monospace, monospace" class=""><br class=""></font></div><div class=""><font face="monospace, monospace" class="">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.</font></div><div class=""><font face="monospace, monospace" class=""><br class=""></font></div><div class=""><font face="monospace, monospace" class=""> Tom</font></div><div class=""><font face="monospace, monospace" class=""><br class=""></font></div><div class=""><font face="monospace, monospace" class=""><br class=""></font><div><blockquote type="cite" class=""><div class="">On Oct 25, 2016, at 5:48 AM, Michał Kadlof <<a href="mailto:m.kadlof@cent.uw.edu.pl" class="">m.kadlof@cent.uw.edu.pl</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="gmail_default" style="font-family:monospace,monospace"></div><div class="gmail_default" style="font-family:monospace,monospace">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.<br class=""></div><div class="gmail_default" style="font-family:monospace,monospace"><br clear="all" class=""></div><div class=""><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class=""><span style="font-family:monospace,monospace" class="">--<br class=""><div class="gmail_default" style="font-family:monospace,monospace;display:inline">best wishes,</div><br class="">Michał Kadlof <<a href="mailto:m.kadlof@cent.uw.edu.pl" target="_blank" class="">m.kadlof@cent.uw.edu.pl</a>></span><br class=""></div></div></div></div></div></div>
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