VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Tue Sep 19 2006 - 11:07:26 CDT
- Next message: Ivan Degtyarenko: "measure bond length?"
- Previous message: JC Gumbart: "Re: psf for protein"
- In reply to: andrea spitaleri: "rmsf"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
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/
> -------------------------------
>
> ********************************************************************
> Sostieni la ricerca del San Raffaele con il 5permille!
> E' SEMPLICE E NON COSTA NULLA.
> Basta indicare nell'apposito riquadro della dichiarazione dei
> redditi ("Ricerca sanitaria")
> il codice fiscale della
> Fondazione Centro S. Raffaele del Monte Tabor:
> 03 06 42 80 153 e ricordarsi di firmare.
> Se vuoi saperne di piu' scrivi a 5permille_at_hsr.it o vai sul sito
> www.5xmille.org
>
>
-- ======================================================================= 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 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
- Next message: Ivan Degtyarenko: "measure bond length?"
- Previous message: JC Gumbart: "Re: psf for protein"
- In reply to: andrea spitaleri: "rmsf"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]