Idiomatic way to color specific residues? about molstar HOT 3 CLOSED

There are two basic ways to apply custom coloring to residues:

• Write a custom theme that takes the coloring data as params. See for example the validation report coloring theme
• Use the overpaint mechanism, which allows you to color representations using a selection. See here for entry point.

Is it possible to programmatically zoom to a selection?

Yes, see plugin.managers.camera.focusLoci (or other focus* functions.

Is it possible to strip out non-amino acids while loading a PDB?

Yes, see for example the polymer and ligand preset for how the state tree is built by default for PDB files. You can either hide the ligand after applying the preset or use the code as template for your own one.

from molstar.

• plugin.managers.structure.hierarchy.current for StructureComponentRefs
  • EDIT: or just copy the relevant part of setStructureOverpaint to your code
• You can execute a query for example with Script.getStructureSelection and converting it to Loci with StructureSelection.toLociWithSourceUnits

from molstar.

OK, thanks. If I use the overpaint mechanism, how do I acquire a StructureComponentRef[]? And how do I select given AA ranges (a Loci) from a Structure?

from molstar.