Utils

• Numba Utils
  • compute_bin()
  • dirichlet()
  • get_delta_r()
  • histogram()
  • jaccard()
  • kl_divergence()
  • normdist()
  • pairwise_dist()
  • np_all_axis1()
  • get_sasa()
  • fibonacci_points()
• MolSys Utils
  • get_dihedral_rotation_matrix()
  • get_dihedral()
  • get_dihedrals()
  • get_angle()
  • get_angles()
  • set_dihedral()
  • guess_mobile_dihedrals()
  • FreeAtom
  • save_ensemble()
  • save_pdb()
  • get_missing_residues()
  • mutate()
  • randomize_rotamers()
  • get_sas_res()
  • pose2mda()
  • xplor2mda()
  • make_mda_uni()
  • template_ICs()
  • make_peptide()
  • parse_sequence()
  • smiles2residue()
  • append_cap()
  • store_cap()
  • get_grid_mx()
  • write_grid()
  • get_site_volume()
• Alignment Methods
  • alignment_method()
  • rosetta_alignment()
  • bisect_alignment()
  • mmm_alignment()
  • fit_alignment()
  • parse_backbone()
  • local_mx()
  • global_mx()
• Scoring
  • get_lj_energy()
  • get_lj_scwrl()
  • get_lj_rep()
  • get_lj_attr()
  • reweight_rotamers()
  • join_geom()
  • join_arith()