[AMBER] APR - atom selection

From: Andreas Tosstorff <andreas.tosstorff.cup.uni-muenchen.de>
Date: Wed, 1 Feb 2017 14:05:56 +0100

Hi all,

I am trying to run APR on my protein. I am not sure on how to select the
atoms for zalign though. From what I can tell you have to specify the
residue and atom in this way:

:LYS.CA

My question is how to select one specifc LYS (e.g. LYS102) in case there
are several in the protein.


I tried :102.CA and :LYS102.CA but it did not work.


Any suggestions?

-- 
M.Sc. Andreas Tosstorff
Lehrstuhl für Pharmazeutische Technologie und Biopharmazie
Department Pharmazie
LMU München
Butenandtstr. 5-13 ( Haus B)
81377 München
Germany
Tel.: +49 89 2180 77059
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Received on Wed Feb 01 2017 - 05:30:03 PST