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