rosetta_pymol_utils

Helpful visualization in pymol for PDBs written by Rosetta.

Highlights include:

• load PDBInfoLabels into pymol selections
• load and highlight atoms from UnsatHbonds filter
• load per residue score terms into corresponding pymol custom fields (e.g. p.total) and color by them
• load per residue simple metrics and color

Usage example

In pymol do

cd /path/to/repo
run pymol_utils.py
#load the pdb with all metrics
load_rosetta_pdb('example\per_res_metrics.pdb', per_res_metrics='per_res_sap per_res_sasa per_res_nc')
#color by total score
color_by_score total, range=-5 0 5, colors=green white red

One useful application is to visualise and adjust layers in layer design, since p.per_res_sasa and p.per_res_nc now contain numerical data that can be used wiht resiude selectors.