Re: [AMBER] Prepping PDB files for amber

From: Lachele Foley (Lists) <"Lachele>
Date: Mon, 19 Dec 2011 17:34:47 -0500

Eh... it happens somewhere down in the site code. I'll see what I can
scare up. Might be tomorrow some time.

On Mon, Dec 19, 2011 at 5:22 PM, Jeffrey Thalhammer
<> wrote:
> On Dec 19, 2011, at 1:39 PM, Lachele Foley (Lists) wrote:
>> The code is getting a little old, so do let me know if you find
>> something that doesn't work.  But, there is a tool here:
> Yes, that's exactly what I had in mind.  I see that it does a nice job of removing the hydrogens and zeroing/stripping the columns that Amber doesn't want.  But the cysteine residues are still CYS rather than CYX.
> Anyway, is the source code available under an open source license?  Is there an API or command-line interface?  The web interface is slick, but not practical for an automated pipeline.
> -Jeff
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:-) Lachele
Lachele Foley
Athens, GA USA
AMBER mailing list
Received on Mon Dec 19 2011 - 15:00:03 PST
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