VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Mar 13 2006 - 11:34:02 CST
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The "contact map" plugin in the VMD Extensions menu calculates
it's "res-res distances" by finding the distance between CA
atoms in the selected residues. You can read the actual Tcl script
that does this by opening the contactmap.tcl script in your installed
VMD, in: vmd/plugins/noarch/tcl/contactmap1.1/contactmap.tcl
The routine of interest is ::contactmap::calcDataDist
John Stone
vmd_at_ks.uiuc.edu
On Mon, Mar 13, 2006 at 12:21:20PM -0500, Jindal Shah wrote:
> Hi,
>
> I was wondering what definition is used to obtain contact residues (say
> within 3A) of
> a selected residue.
>
> Thanks
> Jindal
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
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