VMD-L Mailing List

From: Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Sun Apr 17 2005 - 19:41:29 CDT

Hi,

I think it'll be very useful for you to check the HBPLUS program,
written by Thornton and co-worker. The software webpage is:

http://www.biochem.ucl.ac.uk/bsm/hbplus/home.html

The link includes useful references you can read.
Hope it helps,
Peace

Michel

-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf
Of Amarda Shehu
Sent: Sunday, April 17, 2005 6:14 PM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: criteria for detecting hydrogen bonds

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

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