dr-sasa is a solvent accessible surface area (SASA) calculation software for biological molecules, which supports proteins, nucleic acids and small organic molecules as inputs. The input files can be provided in either the PDB or Mol2 format. PDB format files will use a NACCESS compatible vdW radii lookup table, while Mol2 formats will use the same VdW radii used in Chimera.
There are five operation modes. The first does common SASA calculations, the second calculates the buried surface area (BSA) between various chains or molecular objects, and third and fourth calculate BSA between residues and atoms as if they were independent objects. The fifth mode calculates BSA without requiring that the atoms are solvent accessible. This mode simply calculates the raw contact surface areas (CSA) between chains or molecular objects.
Judemir Ribeiro, Carlos Ríos-Vera, Francisco Melo, and Andreas Schüller
Licensed under the terms of the MIT license. Copyright (c) 2018 Judemir Ribeiro, Carlos Ríos-Vera, Francisco Melo, and Andreas Schüller
J. Ribeiro, C. Ríos-Vera, F. Melo, and A. Schüller (2018), Calculation of accurate contact surface areas between atoms for the quantitative analysis of non-bonded molecular interactions. Manuscript in preparation.