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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_state [,side [,mode ]]]]]]]] | |
| − | + | </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. (default=1.0) | |
| − | + | * selection = an atom selection about which to display the mesh with an additional "buffer" (if provided). (default="") | |
| − | + | * 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. (default=None) | |
| − | + | * source_state = the state of the map from which the object should be loaded. (default=0) | |
| − | + | * Front or back face. Triangle-winding/normal direction. (default=1) | |
| − | + | * mode = surface geometry (0: dots; 1: lines; 2: triangle triangle-normals; 3: triangle gradient-normals) (default=3) | |
| − | + | ||
| − | + | == Algorithm == | |
| − | + | ||
| − | + | PyMOL offers three different algorithms for isosurface generation. Each of these can be activated by the <code>isosurface_algorithm</code> setting | |
| − | + | ||
| − | + | * 0: Marching Cubes via VTKm (default) (requires VTKm) | |
| − | + | * 1: Marching Cubes basic (fallback if VTKm not installed) | |
| − | === | + | * 2: Marching tetrahedra (legacy) |
| − | + | ||
| − | + | == Examples == | |
| − | + | ||
| − | + | fetch 1oky, type=2fofc, async=0 | |
| − | == | + | isosurface 1okySurf, 1oky_2fofc |
| − | + | ||
| − | + | With carving at 2 Angstrom around the molecular model: | |
| − | + | ||
| − | [[Category:Commands| | + | 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]] | ||
| + | * [[isodot]] | ||
| + | * [[isomesh]] | ||
| + | * [[load]] | ||
| + | * [[Dynamic_mesh]] | ||
| + | |||
| + | [[Category:Commands|Isosurface]] | ||
| + | [[Category:States|Isosurface]] | ||
| + | [[Category:Electron_Density]] | ||
| + | [[Category:Maps]] | ||
Latest revision as of 03:21, 22 June 2021
isosurface creates a new surface object from a map object.
Usage
isosurface name, map, [,level [,(selection) [,buffer [,state [,carve [,source_state [,side [,mode ]]]]]]]]
- 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. (default=1.0)
- selection = an atom selection about which to display the mesh with an additional "buffer" (if provided). (default="")
- 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. (default=None)
- source_state = the state of the map from which the object should be loaded. (default=0)
- Front or back face. Triangle-winding/normal direction. (default=1)
- mode = surface geometry (0: dots; 1: lines; 2: triangle triangle-normals; 3: triangle gradient-normals) (default=3)
Algorithm
PyMOL offers three different algorithms for isosurface generation. Each of these can be activated by the isosurface_algorithm setting
- 0: Marching Cubes via VTKm (default) (requires VTKm)
- 1: Marching Cubes basic (fallback if VTKm not installed)
- 2: Marching tetrahedra (legacy)
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.