[Chimera-users] Iterative Attribute Calculator Functions + regular expressions? Challenging Question!
waight at msg.ucsf.edu
Wed Apr 20 10:46:11 PDT 2016
Here's a question (probably) for the python capable.
I have been recently using the Attribute Calculator quite a bit. We are
looking at individual residue local environments by averaging things like
kdhydrophobicity or charge within a ~5A distance of a selected residue.
Would there be a way to automatically perform such a calculation on each
residue (for a given distance) and assign it an attribute like
averageHydrophobiticy or averageCharge? I am a little surprised that no one
has already asked this question as it could be very useful. Such an average
local value (albeit simplified) is probably very important to residue
properties themselves. Thanks!
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