Jmol/Depth from surface: Difference between revisions
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<StructureSection load='' size='350' side='right' caption='' scene=''> | <StructureSection load='' size='350' side='right' caption='' scene=''> | ||
Here is a cross-section (slab) of acetylcholinesterase ([[2ace]]) with <scene name='87/872319/2ace_surfacedistance/1'>atoms colored by surfacedistance</scene>. The script is below. | Here is a cross-section (slab) of acetylcholinesterase ([[2ace]]) with <scene name='87/872319/2ace_surfacedistance/1'>atoms colored by surfacedistance</scene>. The commands are simply | ||
<pre> | |||
select all | |||
color surfacedistance</pre> | |||
A complete script is below. | |||
The default color scheme<ref>For the list of Jmol's color schemes, look for "set property colorscheme" under [https://chemapps.stolaf.edu/jmol/docs/#setmisc set (misc) in the command documentation].</ref> for surfacedistance is red-white-blue, "rwb" in Jmol command language. You can apply other color schemes, such as the spectral color scheme red-orange-yellow-green-blue ("roygb"). | |||
</StructureSection> | </StructureSection> | ||
==Notes== | |||
<references /> | |||
Revision as of 22:25, 18 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.
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