> 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 http://koala.ilog.fr/lehors/xpm.html. 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? 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. Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
