VMD-L Mailing List

From: Dean Johnson (dtj_at_uberh4x0r.org)
Date: Fri Oct 18 2002 - 23:04:11 CDT

On Wed, 2002-10-16 at 17:34, Tara Sprules wrote:
>
> I am not quite clear on what the correct order is to do things. Basically
> I have 10 structures and I would like to write a script that based on the
> atom selections I give, will give me the rmsd between each one and the
> first molecule eg, as well as moving them so that they are all
> superimposed on the first one. (Analogous to doing a superimpose in
> Insight). Does anyone have a script that will do that? I'm using vmd-xplor
> (vmd version 1.7.1)
>

While it is standalone, check out ProFit (www.bioinf.org.uk/software/).
It does a good job at fitting. Do a little bit of perl and you are on
your way.

        -Dean