min_r = 3.2 max_r = 5.4 #minimum and maximum alpha-sphere radius for filtering alpha-spheres clust_dist = 4.7 #distance parameter for average linkage clustering of alpha-atoms #into alpha-clusters min_num_alph = 1 #filter alpha-clusters by a minimum # of alpha-atoms hit_dist = 1.6 #ligand/alpha-atom "contact" distance core_cutoff = 100 aux_cutoff = 30 #minimum pocket score for "high-scoring" and "mid-scoring" classification