Jmol/Depth from surface: Difference between revisions
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==Reporting Surfacedistance== | ==Reporting Surfacedistance== | ||
These commands will be much faster, especially for larger molecules, if done in the standalone [[Jmol/Application|Jmol Java application]]. The Jmol command to report the maximum surfacedistance for any atom in a model is | These commands will be much faster, especially for larger molecules, if done in the standalone [[Jmol/Application|Jmol Java application]]. The Jmol command<ref>Jmol commands are explained in the [https://chemapps.stolaf.edu/jmol/docs/ interactive scripting documentation] at [http://jmol.org Jmol.org].</ref> to report the maximum surfacedistance for any atom in a model is | ||
print {*}.surfacedistance.max # Reports <b>10.25</b> for 2ace. | print {*}.surfacedistance.max # Reports <b>10.25</b> for 2ace. | ||
The asterisk "<span style="font-size:200%;">⁎</span>" means "all atoms". The atom expression must be enclosed in curly brackets "{...}". Anything after "#" is a comment, which is not part of the command to Jmol. | The asterisk "<span style="font-size:200%;">⁎</span>" means "all atoms". The atom expression must be enclosed in curly brackets "{...}". Anything after "#" is a comment, which is not part of the command to Jmol. | ||
