[gmx-users] xpm format

Berk Hess gmx3 at hotmail.com
Thu Feb 15 09:23:51 CET 2007

>From: "Mark Abraham" <mark.abraham at anu.edu.au>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
>Subject: Re: [gmx-users] xpm format
>Date: Thu, 15 Feb 2007 10:55:50 +1100 (EST)
> > Hi All,
> >
> > I would like to use g_mdmat to construct a distance matrix. But the only
> > option for output is xpm format. How should I proceed if I want to get a
> > numerical matrix?
>Any such matrix is "numerical". XPM is a representation of a numerical
>matrix that uses symbols - see
>http://www.gromacs.org/documentation/reference/online/xpm.html and/or
>Do you mean "numbers in binary"? If so, you're on your own.
>If you mean "numbers in ASCII" so that you can use this matrix for some
>other purpose, then now you're talking business.
> > Is there any script to decode xpm to a numerical distance matrix?

There is such a conversion internally for some tools,
but it can not be used separately.

>If it's not on the GROMACS contributions page, then I doubt it. It would
>not be difficult to write one, but a better solution still would be to
>write a back-end for the tools that write these .xpm files to also write
>plain ASCII matrices.

We should implement a switch for all tools that allows one to write:
xpm, xpm+ascii or xpm+binary


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