[PyMOL] Changing ligand conformation

2011-12-09 Thread Mark Bostock
I have a pdb file of a protein which contains a lysine residue bound to a ligand. The ligand has two conformations due to a cis/trans isomerisation. I have created a pdb file (also .mol and .mol2) of lysine attached to the cis form and would like to replace the lysine-ligand(trans) form which i

[PyMOL] Software crashing when opening .pse files

2012-11-02 Thread Mark Bostock
I have pymol 1.5 installed on windows 7 (32 bit). The install works fine with .pdb files, however if I try to open a session file (.pse) created on another machine (windows xp, also running pymol 1.5) the software crashes; there are no error messages in the pymol command line. The programme jus

[PyMOL] Running python on windows 10 from .whl install

2017-02-10 Thread Mark Bostock
I recently installed pymol on my Windows 10 machine using the package 'Pmw‑2.0.1‑py2‑none‑any.whl' provided by Christoph Gohlke at http://www.lfd.uci.edu/~gohlke/pythonlibs/#pymol based on the instructions here https://pymolwiki.org/index.php/Windows_Install and here http://stackoverflow.com/q

[PyMOL] Pymol recolour B factors

2019-03-22 Thread Dr Mark Bostock
Hello, I'm trying to recolour the B factors in a pymol file with chemical shift differences (from NMR data). There's a nice script here for this http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/ (data2bfactor.py) and also a simpler one here https://figshare.com/articles/Pymol_script_loadB