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From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Tue Sep 19 2006 - 11:07:26 CDT

On 9/19/06, andrea spitaleri <spitaleri.andrea_at_hsr.it> wrote:
> Hi all,
> I need some explanation on "measure rmsf". I run like:
>
> set ca [atomselect 0 "chain A and name CA"]
> set tmp [measure rmsf $ca first 1 last 10 step 1]
> and I get a list of numbers which I guess is the rmsf value for each CA for each residue.
> However, llength $tmp gives me back a number of element (and so of residues) different from the
> exact number of residues in the protein.
> Why?

did you check that the result of '$ca num' is consistent with what you expect.
perhaps not all residues match your selection.

axel.

> Thanks in advance
>
> Regards
>
> Andrea
> --
> -------------------------------
> Andrea Spitaleri
> Dulbecco Telethon Institute
> c/o DIBIT Scientific Institute
> Biomolecular NMR, 1B4
> Via Olgettina 58
> 20132 Milano (Italy)
> http://biomolecularnmr.ihsr.dom/
> -------------------------------
>
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.