Difference between revisions of "Isosurface"
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− | + | '''isosurface''' creates a new surface object from a map object. | |
− | + | ||
− | + | == Usage == | |
− | + | ||
− | == | + | <source lang="python"> |
− | + | isosurface name, map, level [,(selection) [,buffer [,state [,carve ]]]] | |
− | + | </source> | |
− | + | ||
− | + | * 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 == | |
− | + | ||
− | + | * [[volume]] | |
− | [[Category:Commands| | + | * [[isodot]] |
+ | * [[isomesh]] | ||
+ | * [[load]] | ||
+ | * [[Dynamic_mesh]] | ||
+ | |||
+ | [[Category:Commands|Isosurface]] | ||
+ | [[Category:States|Isosurface]] | ||
+ | [[Category:Electron_Density]] | ||
+ | [[Category:Maps]] |
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.