Syntax

SURFace

{ <surface-statement> } END is invoked from the main level of X-PLOR. The END statement activates execution.

<surface-statement>:==

ACCUracy=<real>

is accuracy of the numerical integration (default: 0.05).

MODE=ACCess | CONTact

is access or contact mode (default: access).

RH2O=<real>

is probe radius (default: 1.6 Å).

SELEction=<selection>

performs the calculation for the selected atoms.