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
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