VMD-L Mailing List

From: Amarda Shehu (shehua_at_is.rice.edu)
Date: Sun Apr 17 2005 - 18:14:21 CDT

Hello all,

can anyone point me to the criteria for detecting hydrogen bonds? I am
trying to write a simple C program to detect hydrogen bonds in a protein
structure, but cannot seem to find good directions on the criteria to be
satisfied for reporting hydrogen bonds.

I know that there are at least two: distance separation and some sort of
alignment. I would really appreciate it if you can point me to a paper or
a well-established procedure that lists the conditions that need to be
satisfied.

-Amarda Shehu

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Amarda Shehu,
Graduate Student, Computer Science,
Rice University.
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