Difference between revisions of "Isosurface"

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m (corrected appending state)
 
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* level = the contour level.
 
* level = the contour level.
 
* selection = an atom selection about which to display the mesh with an additional "buffer" (if provided).
 
* 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=-3 to append new surface as a new state)
+
* state = the state into which the object should be loaded (default=1) (set state=-2 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.
 
* carve = a radius about each atom in the selection for which to include density. If "carve= not provided, then the whole brick is displayed.
  

Latest revision as of 16:51, 16 January 2020

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=-2 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 there exists a non-map object with the same name, then the new surface will overwrite that object. Surface objects can be appended onto existing surface objects using the aforementioned state argument.

See Also