PySSA aims to combine PyMOL and ColabFold to enable the prediction and analysis of 3D protein structures for the scientific end-user. v1.0 has been released on July 10, 2024.
Backbone-Dependent Rotamer library (Dunbrack, Cohen ; see ref) is imported into pymol giving access to this information. There are a number of different ways to use the data, I've only implemented a few as well as added extra functions that seemed useful.
Rotamer Menu - an added menu into menu.py, which displays the most common rotamers for the given(clicked) residue; you can also set the residue any of the common rotamers as well
colorRotamers - color rotamers by closest matching rotamer angles from database; i.e. color by how common each rotamer of selection, blue - red (least to most common).
set_rotamer - routine called by above menu, but can be called manually to set a specific residues side-chain angles
set_phipsi - set all phi,psi angles of given selection to given angles (useful for creating secondary structures)
createRotamerPDBs - create pdb for each rotamer of given selection ; filter by rotamer-probability
IMAGES
<gallery>
Image:RotamerMenu.png|Rotamer Menu for a GLN residue
Image:GLURotamerC ..→
