[chimerax-users] Automated Fitting of models into maps and saving fits with a correlation score > X

Sun Jul 25 09:05:30 PDT 2021

Dear all,

I have a set of 100  “artificial” tomograms, each containing approx 100 copies of a simulated density map of my protein of interest. I would like to fit each tomogram with the PDB of my POI, and save copies for all fits with a correlation score > 90%. Using the fitmap command in Chimera and then manually selecting the fits that meet the criterium works, but takes quiet a long time for a larger amount of data. I wonder if this could be automated, and if somehow would be able me to put together a script (is it possible to execute such tasks in a  non-gui way, by submitting it to a cluster so that it could be parallelized?).

Thanks a lot in advance,
Best,
Matthias
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