Re: [PyMOL] [EXTERNAL] extract interference residue

2021-08-16 Thread Mohammad Goodarzi
Hi Blaine, How can I extract them? do you know ? Thanks Mo On Sun, Aug 15, 2021 at 5:42 PM Mooers, Blaine H.M. (HSC) < blaine-moo...@ouhsc.edu> wrote: > Hi Mohammad, > > I can confirm that the interfaceResidues.py script works in PyMOL version > 1.5.2 running with Python3.8 on Mac OS 10.15.7. >

Re: [PyMOL] [EXTERNAL] extract interference residue

2021-08-16 Thread Mooers, Blaine H.M. (HSC)
Hi Mo, I apologize. I did not fully address your question the first time. In the internal gui on the right, click on the 'A' menu of the (interface) selection. Select "extract to object" or "copy to object". The new object called "obj1" can be saved to a cif file by selecting it while using "

[PyMOL] Mutagenesis - Python script for rotamer with lowest energy

2021-08-16 Thread Gonzalo Rubio
Hi all, I am trying to make a python function that mutates a residue and selects the rotamer with the lowest energy. Here is what I have so far: # Initialize, load your Protein cmd.wizard("mutagenesis") cmd.load(pdb_file) cmd.do("refresh_wizard", echo=0) # Mutate residue res_