Get solvent accessible surface area of selection

  • srad (float) – Solvent radius
  • samples (int) – Maximum number of sample points per atom. Defaults to 500
  • points (bool) – True to also return the coordinates of surface points. Defaults to True.
  • restrict (atomsel) – Calculate SASA contributions from atoms in this selection only. Useful for getting SASA of residues in the context of their environment. Optional

(float) – Solvent accessible surface area OR (float, list of 3-tuple): SASA, points, if points=True

Example to get percent solvent accssibility of a ligand
>>> big_sel = atomsel('protein or resname LIG')
>>> lig_sel = atomsel('resname LIG')
>>> ligand_in_protein_sasa = big_sel.sasa(srad=1.4, restrict=lig_sel)
>>> ligand_alone_sasa, points = lig_sel.sasa(srad=1.4, points=True)
>>> print(100. * ligand_in_protein_sasa / ligand_alone_sasa)