Calculate the surface area and volume using the GaussVol (default) or Connolly algorithm.
Volume(1) Manual Page
Name
Volume - Calculate the surface area and volume using the GaussVol (default) or Connolly algorithm.
Synopsis
Volume [-chmsvVy] [--vdW] [-o=0.0] [-p=1.4] file
Description
Options
- -c, --connolly
-
Use the Connolly algorithm to compute solvent excluded volume and solvent accessible surface area.
- -h, --help
-
Print command help and exit.
- -m, --molecular
-
For Connolly, compute molecular volume and surface area (instead of SEV/SASA).
- -o, --offset=0.0
-
Add an offset to all atomic radii for GaussVol volume and surface area.
- -p, --probe=1.4
-
For Connolly, set the exclude radius (SASA) or probe radius (molecular surface). Ignored for vdW.
- -s, --sigma
-
Use sigma radii instead of Rmin.
- -v, --verbose
-
Print out all components of volume of molecule and offset.
- -V, --version
-
Print the Force Field X version and exit.
- --vdW, --vanDerWaals
-
For Connolly, compute van der Waals volume and surface area (instead of SEV/SASA)
- -y, --includeHydrogen
-
Include Hydrogen in calculation volume and surface area.
Arguments
- file
-
The atomic coordinate file in PDB or XYZ format.