Try something like this to superimpose the backbone N, C and CA atoms of
multiple segments:
-selection "(((resid 4:25) or (resid 34:52) or (resid 61:76) or
(resid 84:101) or (resid 108:114)) and
( name n or name ca or name c ))" ....
The AND and OR logic can be tricky.
Keith
Keith L. Constantine, Ph. D.
Sr. Research Investigator II
Mechanistic Biochemistry
Bristol Myers Squibb Research and Development
P.O. Box 4000
Princeton, NJ 08543-4000
Tel: (609)-252-6926
Fax: (609)-252-6012
e-mail: keith.constantine at bms.com
From: xplor-nih-bounces at nmr.cit.nih.gov
[mailto:[email protected]] On Behalf Of Daniel Fox
Sent: Friday, July 20, 2012 11:46 AM
To: xplor-nih at nmr.cit.nih.gov
Subject: [Xplor-nih] targetRMSD
Hello, I'm attempting to run the script targetRMSD on my ensemble. I have had
success looking at a specific seqgment, such as resid 10:20 however I
ultimately want to use this script to look at the strands of my beta-barrel and
as such would need to combine 8 different segments, i.e resid 10:20 AND resid
50:60 etc, however I cannot find a way for the script to recognize multiple
segments.
I'm currently running the script as:
% targetRMSD -seletion "resid 10:17 and name CA" avg.pdb struc*.pdb
Any help would be greatly apprecipated
--
Daniel Fox
Columbus Lab
Department of Chemistry
University of Virginia
Charlottesville, VA 22904
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