AMBER Archive (2002)

Subject: Re: off-to-mol2

From: David A. Case (case_at_scripps.edu)
Date: Wed Dec 18 2002 - 12:03:48 CST


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

-- 

================================================================== David A. Case | e-mail: case_at_scripps.edu Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | home page: La Jolla CA 92037 USA | http://www.scripps.edu/case ==================================================================