[ccp4bb]: contacts between two proteins/molecules/...

[Bernard Santarsiero <bds@uic.edu>]

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I'm trying to find a program that will read in two pdb or mol2 files and
list the atom-by-atom contacts between the two proteins/molecules.  It
would be preferable to form a Connolly-type surface on each, and then
identify contacts, thereby taking into account the different van der Waals
contacts for each atom, rather than a simple distance criteria.  I used to
use the program MS (written by Connolly), and then a second program to
read that CONTACT or REENTRANT set of files.  I can use O/Insight... or
other programs to identify contacts manually, and make a list.  Any
suggestions?

Thanks,  

Bernie Santarsiero 
Research Assistant Professor
The Center for Pharmaceutical Biotechnology and the
Department of Medicinal Chemistry and Pharmacognosy
University of Illinois at Chicago
1052B-MBRB  MC-870
900 South Ashland Avenue
Chicago, IL 60607
(312) 996-5388 (office)
(312) 413-9304 (lab)
(312) 413-9303 (fax)