Re: [AMBER] GIST dx files

From: Gard Nelson <Gard.Nelson.NantBio.com>
Date: Tue, 14 Oct 2014 22:23:51 +0000

Perfect, thanks guys!

Gard

________________________________________
From: Nguyen, Crystal [cnnguyen.ucsd.edu]
Sent: Tuesday, October 14, 2014 12:31 PM
To: AMBER Mailing List
Subject: Re: [AMBER] GIST dx files

Hi Gard,

I apologize for not having the dx conversion script available on the web because we haven't finished with the tutorial. The perl script can be downloaded here and used to convert any gist dat file to dx file.

https://www.dropbox.com/s/jad6qb1l1p3n597/write_dx_file.pl?n=20589114

Run by "./write_dx_file.pl file.dat" and replace the header by your original dx files.

Crystal
________________________________________
From: Gard Nelson [Gard.Nelson.NantBio.com]
Sent: Tuesday, October 14, 2014 11:42 AM
To: amber.ambermd.org
Subject: [AMBER] GIST dx files

Hi Everyone,



I'd like to visualize the data contained in the gist.out file, but not written to gist-*.dx files. The Amber14 manual says that there is a perl script, "write_dx_file.pl", that formats the data correctly, however, I can't find the "GIST tutorial website" where the script is available. Can anyone point me in the right direction?



Thanks,

Gard

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Received on Tue Oct 14 2014 - 15:30:05 PDT
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