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 $\vert$ 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.