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Next: Requirements Up: Accessible Surface Area Previous: Accessible Surface Area
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.
- ACCUracy=
Xplor-NIH 2024-09-13