Re: Count protein solvent HBs?

From: Dong Luo (us917_at_yahoo.com)
Date: Thu Jul 05 2007 - 09:21:36 CDT

Here is a script count the hbonds occupancy for a
trajectory between protein selections, or protein and
water selections in case you are interested. After
source this script, type "hbondsgui" will invoke the
gui. It may not be as fast as the plugin mentioned, I
guess.

Dong

--- JC Gumbart <gumbart_at_ks.uiuc.edu> wrote:

> There is a plugin for counting hydrogen bonds in the
> latest versions
> of VMD. I think you can get it either by accessing
> the plugins in
> the cvs or getting the latest alpha build of VMD
> from the Biocore VMD
> public project. Let me know if you can't find it.
>
> On Jul 3, 2007, at 1:10 PM, paco ty wrote:
>
> > Hello list,
> > does any body have a script for counting hydrogen
> > bonds between protein and solvent?
> >
> > Thanks in advance
> >
> > GP
>
>

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