I think this is very easy to do with insightII Biosyn Command Language.
theoretically you can do any number of dihed. angles in combination but
that takes some cpu power.
tleap does not seem to interact with shell currently.
On Mon, 14 Feb 2005, Cenk Andac wrote:
> Date: Mon, 14 Feb 2005 14:23:44 -0800 (PST)
> From: Cenk Andac <cenk_andac.yahoo.com>
> Reply-To: amber.scripps.edu
> To: amber.scripps.edu
> Subject: AMBER: running shell scripts in tleap?
>
> Dear amber community,
>
> I was wondering if it is possible to run C or Bash
> shell scripts in tleap to do a variety of hundreds of
> things on a single ligand. For instance, I would like
> to rotate a dihedral angle about 360 degrees by
> incrementing the torsion angle at 1 degree intervals
> and saving a pdb file for each increment.
>
>
> Best regards,
>
>
> Jenk
>
>
>
>
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Received on Mon Feb 14 2005 - 23:53:00 PST
