Yes, thanks. My first impulse was to do a python script to do the conversion, but Tsjerk Wassenaar's script works neat :)
On Mon, Jan 23, 2012 at 5:10 PM, lina <[email protected]> wrote: > On Mon, Jan 23, 2012 at 9:56 PM, Víctor <[email protected]> > wrote: > > Dear all, > > > > I've been trying to do a rmsd matrix of two different trajectories by > using > > g_rms (with -f traj1 and -f2 traj2). I'm wondering if the algorithm g_rms > > uses does something like this: > > > > for each frame f1 in traj1: > > for each frame f2 in traj2: > > superimpose f1 , f2 > > calculateRMSD f1, f2 > > > > Or like this (as I've seen in some other rmsd matrix calculation > scripts): > > > > for each frame f in traj1: > > superimpose f with first frame > > > > for each frame f1 in traj1: > > for each frame f2 in traj2: > > calculateRMSD f1, f2 > > > > I've also been trying to convert the resulting xpm file to a readable > file > > BTW, xpm file is readable. > try: > more xpm or other tools your preferred to read. > > > > in order to process it using python. Is there any tool to do this kind of > > conversion?(Btw I've been trying to find this kind of tool with not much > > luck). There's enough info on the file to be able to parse it easily, but > > using a 3rd party tested tool would be more convenient. > > > > Thanks! > > > > -- > > > > Víctor Gil Sepúlveda > > E. Informatica - FIB - UPC > > > > -- > > gmx-users mailing list [email protected] > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists > -- Víctor Gil Sepúlveda E. Informatica - FIB - UPC
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