Jmol/Depth from surface: Difference between revisions
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The [https://chemapps.stolaf.edu/jmol/docs/#atomproperties atom property] ''surfacedistance'' in [[Jmol/Index|Jmol]] is each atom's distance from the surface of the macromolecule. The units of surfacedistance are Ångstroms. You can select atoms by distance from the surface, and report the average, minimum, or maximum surfacedistance of a group of atoms. Atoms, [[Jmol/Cavities pockets and tunnels|cavity/pocket/tunnel isosurfaces]], and other objects can be colored by distance from the surface. | The [https://chemapps.stolaf.edu/jmol/docs/#atomproperties atom property] ''surfacedistance'' in [[Jmol/Index|Jmol]] is each atom's distance from the surface of the macromolecule. The units of surfacedistance are Ångstroms. You can select atoms by distance from the surface, and report the average, minimum, or maximum surfacedistance of a group of atoms. Atoms, [[Jmol/Cavities pockets and tunnels|cavity/pocket/tunnel isosurfaces]], and other objects can be colored by distance from the surface. | ||
<StructureSection load='' size='350' side='right' caption='' scene=''> | |||
Here is a cross-section (slab) of acetylcholinesterase ([[2ace]]) with atoms colored by surfacedistance. The script is below. | |||
</StructureSection> | |||
Revision as of 00:32, 19 January 2021
This page is under construction. Eric Martz 00:56, 18 January 2021 (UTC)
The atom property surfacedistance in Jmol is each atom's distance from the surface of the macromolecule. The units of surfacedistance are Ångstroms. You can select atoms by distance from the surface, and report the average, minimum, or maximum surfacedistance of a group of atoms. Atoms, cavity/pocket/tunnel isosurfaces, and other objects can be colored by distance from the surface.
Here is a cross-section (slab) of acetylcholinesterase (2ace) with atoms colored by surfacedistance. The script is below.
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