AMBER Archive (2004)Subject: Re: AMBER: md.out & plot
From: Luis Gracia (lug2002_at_med.cornell.edu)
Date: Tue Nov 23 2004 - 16:43:33 CST
Hi developed some time ago a program to extract info from amber md and
min runs. It uses gnuplot to produce the graphics, but can also save the
data in plain ASCII columns, which I am sure can be imported in excel
quite easily. The link is plotamber.sf.net
Luis
bybaker_at_itsa.ucsf.edu said the following on 11/23/04 17:23:
> Hello, Amber:
>
> I use the command of ‘perl process_mdout.perl md1.out’ to generate the
> summaries from one Amber md run. I would like to plot them with Excel or
> Prism programs. The files' format can not be recognized by either of
> these programs. I don’t have ‘xmgr’. If I manually delete the time
> points, it takes a long time and easy to make mistakes. Can any one
> suggest me how to convert these files into the files that can be used for
> Excel?
>
> Thank you very much for your help.
>
> Regards
>
> Bo
>
>
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--
Luis Gracia, PhD
Department of Physiology & Biophysics
Weill Medical College of Cornell University
1300 York Avenue, Box 75
New York, NY 10021
Tel: (212) 746-6375
Fax: (212) 746-8690
lug2002_at_med.cornell.edu
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