p4ward.analyse.rank

p4ward.analyse.rank.generate_protein_poses(poses, pose_objs, generated_poses_folder, altlocA)

Subset of protein-protein poses to generate based on conf option generate_poses. Options are “none”, “all”, “filtered”, “top”, “filtered_centroids”, “top_centroids”. Biopython is used to rotate the pose and then save it.

p4ward.analyse.rank.protein_poses(ligase_obj, top_poses)

organize protein pose object in a ranking as specified by the user. modifies attibute active, which specifies which poses go to next stage of development e.g. linker sampling. takes all arguments from protein_ranking section in the config file

p4ward.analyse.rank.rescore(protac_objs)

For each protac, rescore its protein poses to combine ppi score with protac-protein interaction score (lower=better)