VMD-L Mailing List

From: Amarda Shehu (shehua_at_is.rice.edu)
Date: Sat Oct 23 2004 - 14:58:21 CDT

Does anyone know the command to output the xyz coordinates of a selection
in crd format? I know how to get the selection and even get the xyz
coordinates, but cannot find the command to write these out to a crd file.

I even tried writepdb to output them to a pdb format file, but vmd crashes
on me.

-Amarda

On Fri, 15 Oct 2004, John Stone wrote:

>
> Hi,
> It depends greatly on how you want to select the residues as to how you
> would proceed with coloring them. If you want all ALA residues to be a
> different color, you can simply do something like:
> color Resname ALA red
>
> If you want to color a certain group of residues a particular way, it is
> often best to use atom selections to select that group of residues, and
> then set the color via the ColorID coloring method:
> mol modselect 0 0 "resid 1 to 10"
> mol modcolor 0 0 ColorID 0
>
> There's more information about all of this in the User's Guide.
>
> John Stone
> vmd_at_ks.uiuc.edu
>
>
> On Wed, Oct 13, 2004 at 01:27:06PM +0400, S.G.Falkovich wrote:
> > Sir,
> >
> > I need to change color and representation of some residues automatically, from script.
> >
> > Can anybody help me?
>
> --
> 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
>