From: REX PALMER
Date: 1 December 2011 11:21
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From: Bruno KLAHOLZ
Date: 1 December 2011 11:21
I am looking for a program that will display weak CH---N bonds.
The programs I know about only display classical hydrogen bonds such as OH---N etc.
Any suggestions please?
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From: Bruno KLAHOLZ
Dear Rex,
if you display hydrogens in Pymol you should be able to draw distances between any atoms
(select the 2 atoms of interest with Ctrl + middle mouse, and type "distance" into the command line).
However, one should obviously keep in mind the geometry of the free electron pairs to which H-bonds can be donated.
See for example Fig. 1 in
C-H...O hydrogen bonds in the nuclear receptor RARgamma--a potential tool for drug selectivity. Structure. 2002 Sep;10(9):1197-204.
HTH,
Bruno
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