Jmol/Depth from surface
From Proteopedia
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select all | select all | ||
color surfacedistance</pre> | color surfacedistance</pre> | ||
| - | In Proteopedia's [[SAT|Molecular Scene Authoring Tools]] (SAT), you can enter these commands in the slot below the molecule. There will be a delay (about 20 sec on my computer) while JSmol calculates the | + | In Proteopedia's [[SAT|Molecular Scene Authoring Tools]] (SAT), you can enter these commands in the slot below the molecule. There will be a delay (about 20 sec on my computer) while JSmol calculates the surfacedistance for each atom. However, once the scene is saved as a green link, the colors are saved and displayed without re-calculation when the green link is clicked. |
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"). | 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"). | ||
Revision as of 22:30, 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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Notes
- ↑ For the list of Jmol's color schemes, look for "set property colorscheme" under set (misc) in the command documentation.
