NAME
     CalcSurface - calculate solvent accessible surface

SYNOPSIS
     CalcSurface expr expr

DESCRIPTION
     Generate a report with solvent accessible surfaces
     of each residue. The first argument gives the radius
     of the solvent, the second the desired precision.
     A reasonably good approximation will be obtained with
     precisions of 2 or 3, higher values will lead to even
     better results.

     Only selected atoms are used for the calculation. The
     first surface given for each residue is the accessible
     surface in the context of the molecule, the second one
     is the surface of the isolated residue.

     The results are listed for each molecule separately,
     a summary with average, minimal and maximal values is
     given at the end. If not all molecules have the same
     structure, or if not the same atoms are selected in
     all molecules, these values will not make much sense.

     The calculation will take some time, especially if a
     high precision is desired. The time grows exponentially
     with the precision, so values of more than 4 or 5 are
     not recommended.

     This command supports groups.

EXAMPLE
     CalcSurface 1.4 2

SEE ALSO
     SelectAtom, Group, AddSurface

DATE
     960317
