Compute solvent-accessible surface area (in Angstroms) for the specified atoms or residues of one or more PDB files using the algorithm in A. Varshney et al. IEEE Comput. Graphics Appl. 1994, 14, 19-25.
Usage: calcSA [options] <file.pdb> [file2.pdb ...]
options:
-psf <spec> - specify optional PSF file name.
-probeR <val> - specify the probe (solvent) radius in Angstroms. [1.4]
-molSelection - specify the portion of the input structure to be considered
as the molecule in the calculation. ['all']
-reportSelection - specify the atom(s) to report the surface area of; the
intersection of this selection (which defaults to
'name HN') and molSelection will be used.
-maxTessLen <val> - set the max_tess_len tessellation parameter in
Angstroms. [1.4]
-byResidue - report the surface area of each residue in molSelection
(regardless of the value of reportSelection).
-outfileName <spec> - if given, a pdb file will be written out with the
B-factor field filled with computed surface area
value. Please do not use this option while specifying
more than one PDB file.