Re: [AMBER] about print_res in MMPBSA.py

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 6 Sep 2016 16:37:58 -0400

On Tue, Sep 6, 2016 at 1:44 PM, Thomas Evangelidis <tevang3.gmail.com>
wrote:

> Thank you Jason! How about restricting the selection to protein residues
> only? Is it possible to include non-standard residues like phosphorylated
> serines or threonines?
>

​Your approach seemed like one of the best available (i.e., &-ing the
distance selection with the residue selection of all protein residues).
There aren't any more convenient method available (unless you wanted to do
&!:<residue names to omit> if the omission list is shorter).

-- 
Jason M. Swails
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Received on Tue Sep 06 2016 - 14:00:02 PDT
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