Re: [PyMOL] How to enable Pymol when give ModuleNotFoundError: No module named '_tkinter' error

2021-06-19 Thread Gundala Viswanath
- > > *Saurabh Gayali* / Post Doctoral Fellow > saurabh.gay...@gmail.com / +91 8800412916 > > *CSIR-IGIB* > <http://example.com/>New Delhi, India > > > On Fri, Jun 18, 2021 at 7:23 AM Gundala Viswanath > wrote: > >> Hi, >> I am using MacOSX Ca

[PyMOL] How to enable Pymol when give ModuleNotFoundError: No module named '_tkinter' error

2021-06-17 Thread Gundala Viswanath
Hi, I am using MacOSX Catalina. I installed Pymol with this command: brew install brewsci/bio/pymol However when I called it $ pymol It gave me this error: 7, in import _tkinter # If this fails your Python may not be configured for Tk ModuleNotFoundError: No module named '_tkinter' H

Re: [PyMOL] Programmatically adding hydrogen and remove water to multiple PDB files

2021-06-17 Thread Gundala Viswanath
i* / 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 > wrote: > >> Hi >> >> I'm trying to dock a ligand to several

[PyMOL] Programmatically adding hydrogen and remove water to multiple PDB files

2021-06-17 Thread Gundala Viswanath
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? Sincerel