Re: [PyMOL] Atoms forming more bonds than they should have

2018-07-10 Thread Wei Song
Hi Thomas, This is a single docking poses produced by Autodock Vina. I did get several poses, but all of them look similar and a flat structure. I am thinking of that this might be due to the 2D (not 3D) structure of the lipid which I used for protein docking as I was not able to get a 3D for this

[PyMOL] Rotation of Torsional Angle in peptide

2018-07-10 Thread SABYASACHI MISHRA be15b025
Hi, I am trying to rotate the torsional angle in the peptide. However, instead of using PyMol I want to write a small script myself to understand better. I am trying to use the rotation matrix for axis-angle rotation but I am not able to do successfully. Can someone please help me in doing this.

Re: [PyMOL] Atoms forming more bonds than they should have

2018-07-10 Thread Thomas Holder
Hi Wei, Is this an ensemble of docking poses all overlayed in the same PDB file, and not separated by MODEL records? PyMOL does distance based bonding when loading data from PDB files. Which docking program generated this file? Cheers, Thomas > On Jul 9, 2018, at 4:57 PM, Wei Song wrote: >