Hi Florian, Ran,
Isabelles script deals with the inproduct matrices from g_anaeig.
Though it doesn't directly write out a matrix in ascii format, it
could be made to do so. You could use convert though to convert the
.xpm to (human readable) .ppm, which is easily further processed by a
script. Alternatively, it is very simple to add a bit of code to make
the tools write ascii matrices, or .ppm/.pgm for that matter, which
are also very simple to handle. To do so, you may have to add the new
file types in $GMXSRC/include/types/filenames.h and
$GMXSRC/src/gmxlib/filenames.c (follow the examples, and make sure to
insert the file types in the same place). For generic matrices I use
efDAT usually, which is already present. If you want more of an
example, just let me know.
Best,
Tsjerk
On 4/4/07, Ran Friedman <[EMAIL PROTECTED]> wrote:
IIRC there's a script from Isabella Daidone to deal with the xpm of one
of these programs. I don't remember more, but you can check the archives
and try to work it out for other xpms.
Ran.
Berk Hess wrote:
>
>
>
>> From: Florian Haberl <[EMAIL PROTECTED]>
>> Reply-To: Discussion list for GROMACS users <[email protected]>
>> To: Discussion list for GROMACS users <[email protected]>
>> Subject: [gmx-users] other output format of Matrix Data than xpm format
>> Date: Wed, 4 Apr 2007 16:14:57 +0100
>>
>> Hi,
>>
>> is there a build in option or an easy way to change the output not to
>> be xpm
>> files? I only want a matrix of the numbers and not plotted as xpm file.
>>
>> I only found
>>
>> http://www.gromacs.org/pipermail/gmx-developers/2004-April/000866.html
>>
>> Affected tools like
>>
>> g_rms
>> g_anaeig
>
> Currently not...
> We want to add an option to all tools that write xpm to
> optionally write an ascii (or binary) matrix.
>
> Berk.
>
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--
------------------------------------------------------
Ran Friedman
Postdoctoral Fellow
Computational Structural Biology Group (A. Caflisch)
Department of Biochemistry
University of Zurich
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
Tel. +41-44-6355593
Email: [EMAIL PROTECTED]
Skype: ran.friedman
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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
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3584 CH Utrecht
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