AMBER Archive (2002)

Subject: Re: off-to-mol2

• Next message: Andrei Leitão: "About heating..."
• Previous message: Michael Ford: "Re: mm_pbsa error message!"
• In reply to: Anke Eisenmann: "off-to-mol2"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

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
==================================================================

• Next message: Andrei Leitão: "About heating..."
• Previous message: Michael Ford: "Re: mm_pbsa error message!"
• In reply to: Anke Eisenmann: "off-to-mol2"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]