well if you use Linux then you can use GVim to do highlight and do simple changes on one type only then use find and replace option. That what I do when I have more than one type. It needs one hour practice then you will be ok. Or you can write a script for such things. Best
On Tue, Nov 13, 2018 at 9:15 AM Momin Ahmad <momin.ah...@kit.edu> wrote: > Hi Ali, > > my problem is that there is not only one molecule but two different > molecules which build up a crystaline structure. For example i have 10 > XXX and 100 YYY in the .pdb file. > > Cheers > > Momin > > Am 13.11.18 um 16:12 schrieb Ali Ahmed: > > 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. > >> > -- > 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.
