Hi, I used this command g_cluster -f input.pdb -s input.pdb -cl output.pdb -nofit -av
I got a file containing all the structures of the cluster. I am not sure if the first one is the cluster center? Houcemeddine On Mon, Jan 28, 2013 at 9:49 AM, francesco oteri <francesco.ot...@gmail.com>wrote: > Hi, > you can try using g_cluster, taking care to use the option -cl > > Francesco > > > 2013/1/28 Houcemeddine Othman <houce...@gmail.com> > > > Hi, > > How can I get the center of a cluster from a multiple conformers pdb > > file (a file containing a cluster of a docking poses). I tried to use > > g_covar to get an average structure but I get a distorted structure > > when averaging over the whole atoms of the protein. > > -- > > gmx-users mailing list gmx-users@gromacs.org > > 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 gmx-users-requ...@gromacs.org. > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > > -- > Cordiali saluti, Dr.Oteri Francesco > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
