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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