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
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.