[Chimera-users] Automate calculation and saving of residues' structural attributes
andre.jfmdm at gmail.com
Thu Jan 20 19:27:48 PST 2022
I'm working on an automated pipeline (in Python) for the structural
analysis of proteins. In particular, I'm using Chimera to calculate and
save to .txt files some structural properties of residues (namely: areaSAS,
areaSES, relSESA, bfactor, kdhydro, phi, psi). These files are the inputs
of the pipeline.
However, currently these files are exported manually, and, for the purpose
of building a fully automated pipeline, it would be great to also automate
this step of generating the attributes and exporting their respective .txt
I searched a lot, and tried some ways to achieve such an automation, but
nothing worked (if you'd like to know about these (unsuccessful) ideas that
I had, I can share them in next messages).
Given that, I'd like to know if anyone has done something like this, and/or
have any guidance on how I could proceed, if that's something possible at
all to be done with Chimera (or even ChimeraX).
I really appreciate any help you can provide!
Thank you so much,
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