VMD-L Mailing List

From: pl (ladam_at_smbh.univ-paris13.fr)
Date: Mon Nov 08 2004 - 08:10:57 CST

Hi all,

I desperatly try to select waters that are H-Bonded to DNA along a
trajectory. I want to rewrite a trajectory or serie of pdb files
with these waters only plus my DNA.
Could it be possible to include this in VMD plugins or scripts as this
rather sounds like a common feature for hydration studies.
Maybe something like the getbonds command adapted to H-Bonds
(getHbonds.?.) would be of great help.
I am a talent-less tcl programmer and I am glued with this problem
since a few days now...
Maybe someone has a script for this (I tried to adapt
bridging_waters.tcl) but with no succes for the moment.

Bye all 

-- 
------------------------------------------------------------------
| Patrick LADAM                   |                               |
| Laboratoire CSSB                |     THE BIG BANG THEORY:      |
| UFR SMBH                        |                               |
| 74 rue Marcel Cachin            |   In the begining there was   |
| 93017 Bobigny CEDEX             |        nothing at all.        |
| >>> NEW e-mail: <<<             |                               |
| ladam_at_smbh.smbh.univ-paris13.fr |      Then, it exploded...     |
| Tel: 01 48 38 77 26 / 76 85     |                               |
| Fax: 01 48 38 77 77             |                               |
------------------------------------------------------------------