Does Autodocktools provide a command line for batch processing? G.V.
On Thu, Jun 17, 2021 at 9:24 PM Saurabh Gayali <saurabh.gay...@gmail.com> wrote: > You should use autodocktools [ADT] or openbabel for this purpose. > Converting PDB to PDBQT. > > ------------------------------ > > *Saurabh Gayali* / Post Doctoral Fellow > saurabh.gay...@gmail.com / +91 8800412916 > > *CSIR-IGIB* > <http://example.com/>New Delhi, India > > > On Thu, Jun 17, 2021 at 4:01 PM Gundala Viswanath <gunda...@gmail.com> > wrote: > >> Hi >> >> I'm trying to dock a ligand to several hundred PDB files (receptors). I >> thus need to prepare those files like removing water and adding hydrogen. >> >> I can do that manually using Pymol. But it's too troublesome. Is there a >> way to do it programmatically with Pymol command line procedure? >> >> >> Sincerely, >> >> G.V. >> _______________________________________________ >> PyMOL-users mailing list >> Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net >> Unsubscribe: >> https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe > >
_______________________________________________ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
