drugforge.dataviz.plip

Functions

build_interaction_dict(plip_xml_dict, ...)	Parses a PLIP interaction dict and builds the dict key values needed for 3DMol.
compute_fint_score(protein, pose, target)	Compute the Fitness Interaction Score (FINTscore) given a dict with interactions generated by PLIP.
get_interaction_color(intn_type)	Generated using PLIP docs; colors match PyMol interaction colors.
get_interaction_fitness_color(plip_xml_dict, ...)	Get fitness color for a residue.
get_interactions_plip(protein, pose, ...)	Get protein-ligand interactions according to PLIP.
is_backbone_residue(protein, x, y, z)	Given xyz coordinates, find the atom in the protein and return whether it is a backbone atom.
make_color_res_fitness(protein, target)	Based on fitness coloring, creates a dict where keys are colors, values are residue numbers.
make_color_res_subpockets(protein, target)	Based on subpocket coloring, creates a dict where keys are colors, values are residue numbers.