Re: off-to-mol2

From: David A. Case <case_at_scripps.edu>
Date: Wed 18 Dec 2002 10:03:48 -0800

On Wed, Dec 18, 2002, Anke Eisenmann wrote:

> I just wondered if there's a program around that converts off-format
> files to mol2-format files...

Not really. This might work:

(1) run tleap, commands loadOff, followed by saveAmberPrep

(2) use antechamber to convert the prep file to mol2 format.

(Note: I haven't tried this myself....)

..good luck...dac

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David A. Case                     |  e-mail:      case_at_scripps.edu
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Received on Wed Dec 18 2002 - 10:03:48 PST