Program for H-bond prediction?
Lena Nekludova
lena at PABO7.MIT.EDU
Mon Aug 18 10:03:26 EST 1997
Dear fellow X-plorers:
I consider writing a program that lists all (possible) (non-water-mediated)
hydrogen bonds, based on coordinates of a crystal structure.
Before starting this project, i want to make sure that i am not re-inventing
the bicycle.
Does anyone know of a similar program, either shareware or low-cost?
(This question is not directly Xplor-related; but i cannot think
of a better group of people to address it to ...)
Thanks a lot!
---------------------------------------------------------------------
Lena Nekludova | HHMI/MIT, Pabo Lab | (617) 258-5881
Scientific programmer | 68-580, Dept of Biology | lena at pabo1.mit.edu
| Cambridge, MA, 02139 |
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