Re: [PyMOL] Script for drawing docked ligand-active site pics

2020-04-29 Thread Thomas Evangelidis
Hi, I wrote a new PyMOL command a year ago to draw protein-ligand interactions and create publication-quality images. Not exactly what you are looking for but may be of help. It is already in the PyMOL script repository, so if you have it you can load the command directly. For more details look at

Re: [PyMOL] Script for drawing docked ligand-active site pics

2020-04-29 Thread Tamas Hegedus
Hi, I do not provide a full solution... I suggest * try every particular step in pymol, in the command window * if one step is successful, then put it (finally everything) into a file * use python commands (not pymol; e.g. cmd.color("blue", "lig_01")) * run the file either using "run python.file.

[PyMOL] Script for drawing docked ligand-active site pics

2020-04-29 Thread leifepeterson
I have two receptors and their active sites for which I need to draw about 70 separate ligand-active site images (.png). Both active sites are saved in session files (.pse) based on 3D coordinates from pdbqt files after prepping for Vina docking. The ligand 3D coordinates are based on *_out.pdbq