Hi, I use Avogadro and it is easy to change LIG to anything you want. I just use find and replace option which takes less than a minute. Best Ali
On Tue, Nov 13, 2018 at 8:04 AM Momin Ahmad <momin.ah...@kit.edu> wrote: > Hi, > > is there a tool where i can use for example a .cif file (or .xyz) file > to generate a .pdb file with correct classification? For example > Avogadro classifies all atoms as LIG and i cannot change it. Is there > also another tool which can be used to generate large scale crystal > structures with building blocks as input? > > > Cheers > > Momin > > -- > Momin Ahmad > > Karlsruhe Institute of Technology (KIT) > Steinbuch Centre for Computing (SCC) > Hermann-von-Helmholtz-Platz 1 > 76344 Eggenstein-Leopoldshafen > Phone: +49 721 608-24286 > E-Mail: momin.ah...@kit.edu > > -- > 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.
