Re: [ccp4bb]: PROTEIN CONTACTS

["David R. Cooper" <drc2n@unix.mail.virginia.edu>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***


Hello, Pedro.

The programs HB-plus/Ligplot  can do this and and make some pretty nice
figures.  You can specify ranges of residues, chains, or domains.  Both
programs are command line driven (Ligplot can automatically run HBplus for
you).  Hydrogen bonding and VDW contact information is given.

http://www.biochem.ucl.ac.uk/bsm/ligplot/ligplot.html

Good luck,
David

On Fri, 27 Sep 2002, Pedro A Reche wrote:

> Hi all,
> I am interested in listing the protein contacts between  molecules,
> chains, side-chains etc for whole set of structures, and I wonder if
> someone could suggest me a good  UNIX program preferably working on the
> command line to to the job. If the program could also identify the type
> of contacts (VW, H-bonds, salt bridges) will be great.
> Thanks for consideration,
>
>
>
> Pedro
>
> --
> *******************************************************************
> PEDRO A. RECHE , pHD            TL: 617 632 3824
> Dana-Farber Cancer Institute,   FX: 617 632 4569
> Harvard Medical School,         EM: reche@research.dfci.harvard.edu
> 44 Binney Street, D1510A,       EM: reche@mifoundation.org
> Boston, MA 02115                URL: http://www.reche.org
> *******************************************************************
>
>
>