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Isosurface

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Revision as of 18:49, 14 October 2019 by Cchem (talk | contribs) (1 revision)
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isosurface creates a new surface object from a map object.

Usage

 isosurface name, map, level [,(selection) [,buffer [,state [,carve ]]]]
  • name = the name for the new mesh isosurface object.
  • map = the name of the map object to use for computing the mesh.
  • level = the contour level.
  • selection = an atom selection about which to display the mesh with an additional "buffer" (if provided).
  • state = the state into which the object should be loaded (default=1) (set state=0 to append new surface as a new state)
  • carve = a radius about each atom in the selection for which to include density. If "carve= not provided, then the whole brick is displayed.

Examples

fetch 1oky, type=2fofc, async=0
isosurface 1okySurf, 1oky_2fofc

With carving at 2 Angstrom around the molecular model:

fetch 1oky, async=0
fetch 1oky, type=2fofc, async=0
isosurface 1okySurf, 1oky_2fofc, 1.0, (1oky), carve=2.0

Notes

If the surface object already exists, then the new surface will be appended onto the object as a new state (unless you indicate a state).

See Also