Re: AMBER: AdoMet parameterization with antechamber

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: Alan <alanwilter.gmail.com>
Date: Mon, 24 Nov 2008 10:46:52 +0000

On Sun, Nov 23, 2008 at 21:13, David A. Case <case.biomaps.rutgers.edu>wrote:

>
> Antechamber needs as input a pdb file with all hydrogens added. sleap has
> an
> "hbuild" routine which should do this (I've not used it myself), and many
> other programs can also do this.
>

Like openbabel, yasara.

-- 
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo.scripps.edu

Received on Fri Dec 05 2008 - 16:32:44 PST