Good stuff! I expect this to be widely appreciated. Kind regards, Erik Marklund
On 18 Feb 2014, at 20:59, Ricardo O. S. Soares <rsoa...@fcfrp.usp.br> wrote: > Dear GMX users , > > I uploaded a python script to the user contributions section of the GROMACS > website (http://www.gromacs.org/Downloads/User_contributions/Other_software), > it's called readHBmap.py. > The idea behind the script is to allow the user to read the hydrogen bond map > matrix file (.xpm) generated by g_hbond and filter the results according to a > specified occupancy threshold (0-99%). > It also plots a xvg file where the occupancies are calculated each > user-selected timestep and are plotted along the trajectory. > The script is brand new, and it hasn't been widely tested so, as usual, > please check your output! > Suggestions are welcome. > > Cheers, > > Ricardo. > > > --- > Biological Chemistry and Physics > Faculty of Pharmaceutical Sciences at Ribeirão Preto > University of São Paulo - Brazil > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
