Surface areas

From: Pauly M <>
Date: Wed 19 Jul 2000 14:27:24 +0100 (BST)

Dear AMBER users,

I have coded my own version of the AMBER potential for use with some of
our own programs. I am currently looking for a routine which could
calculate solvent-accessible surface areas for individual atoms within
a polypeptide and their gradients (and even second derivatives if
possible) if supplied with a list of vdW radii and atomic positions.
Ideally it would be written in f77, but I'm not too bothered. I have come
across Werner Braun's GETAREA routine and this looks ideal, but
unfortunately I have not been able to get in touch with him. Can anybody
help me??


Paul Mortenson

 Paul Mortenson Room 248, Department of Chemistry
 Downing College
 Cambridge Work Tel. 01223 336530
 CB2 1DQ Mobile 07790 141252
 Tel. 01223 321495 Messages to mobile:

"The most exciting phrase to hear in science, the one that heralds new
      discoveries, is not 'Eureka!' (I found it!) but 'That's funny ...'"
             -- Isaac Asimov
Received on Wed Jul 19 2000 - 06:27:24 PDT
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