VMD-L Mailing List

From: Karsten Suhre (karsten.suhre_at_igs.cnrs-mrs.fr)
Date: Thu Sep 22 2005 - 02:07:16 CDT

Dear Chuck,

> VMD doesn't have any facility for processing symmetry records presently,
> so if you want to build a full structure from a symmetric component such as
> is commonly done for large virus structures, you'll either need to apply
> the transformations yourself by hand or with scripts, or find another
> program or web site that does this for you.

... a recent crystallography graphics tool that is quite easy to use for your
purpose is COOT :

http://www.ysbl.york.ac.uk/~emsley/coot/

You can load your PDB file into coot and then simply ask coot to display the
symmetries of your structure (and then save them). This implies of course
that your PDB file contains a CRYST card that describes your symmetries, but
I suppose you have that.

Kind regards,

Karsten.