Re: [AMBER-Developers] PDB Preprocessor

From: B. Lachele Foley <lfoley.ccrc.uga.edu>
Date: Fri, 17 Feb 2017 16:19:20 +0000

The interface isn't open source, but all the background stuff is. The interface isn't a big deal.


Here's the GEMS script that does the work:

https://github.com/GLYCAM-Web/gems/blob/master/testbin/pdbpreprocessing.py

gems/pdbpreprocessing.py at master · GLYCAM-Web/gems · GitHub<https://github.com/GLYCAM-Web/gems/blob/master/testbin/pdbpreprocessing.py>
github.com
gems - Glycam Extensible Modeling System





:-) Lachele

Dr. B. Lachele Foley
Associate Research Scientist
Complex Carbohydrate Research Center
The University of Georgia
Athens, GA USA
lfoley.uga.edu
http://glycam.org
________________________________
From: Hai Nguyen <nhai.qn.gmail.com>
Sent: Friday, February 17, 2017 11:15:06 AM
To: AMBER Developers Mailing List
Subject: Re: [AMBER-Developers] PDB Preprocessor

is this open-source? If so, is there github repo for it so I can read? thx.

Hai

On Fri, Feb 17, 2017 at 11:13 AM, B. Lachele Foley <lfoley.ccrc.uga.edu>
wrote:

> Here's our online PDB preprocessor. We had to write it long ago for
> building glycoproteins.
>
>
> http://glycam.org/pdb
>
>
> :-) Lachele
>
> Dr. B. Lachele Foley
> Associate Research Scientist
> Complex Carbohydrate Research Center
> The University of Georgia
> Athens, GA USA
> lfoley.uga.edu
> http://glycam.org
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
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Received on Fri Feb 17 2017 - 08:30:03 PST