Generating model proteins optimised on geometry and accessibility of cysteine residues. As used in Baranovic and Plested (2018).
buryMyCys : Generate optimised models from a user supplied seed.
native_buryMyCys : measure from user supplied models
cysTools : wrappers for CCP4 and PyMOL functions
Cystance uses:
PyMOL v2.x from Schroedinger https://pymol.org/2/
CCP4 v7.x http://www.ccp4.ac.uk
https://pymolwiki.org/index.php/Main_Page
Cystance runs on a Mac. Almost certainly fails on Windows. Might work on *nix To get access to CCP4 the script should be run from the Terminal with CCP4 sourced. Calling PyMOL in this way is done in the Anaconda Python distro bundled with Pymol 2.0 from Schroedinger
Alter parameters within the script to optimise on different priorities.
/Applications/PyMOL.app/Contents/bin/python buryMyCys.py