Dear Gromacs users, I've written a program that runs the program "multiprot" on a gromacs trajectory. multiprot is a program that does structural alignment of proteins, i.e. it aligns two proteins based on structure and not sequence. This can be useful e.g. when one compares a gromacs trajectory to a protein that has a completely different sequence. It doesn't depend on a similar index group as g_confrms. The output gives two xvg files, one with the rmsd and one with the number of amino acids that were used in the alignment.
Before submitting the program I'd be happy if interested people help me by testing it. To do this, you should first download and install do_multiprot: http://bioinfo3d.cs.tau.ac.il/MultiProt/ and then contact me off list for the code or executable. Thanks, Ran. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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
