nglviewer / nglview

Jupyter widget to interactively view molecular structures and trajectories

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Color all sidechain but heavy atoms

pguillem opened this issue · comments

Hi.

I have 5 pdbs superimposed. I have a selection of residues 1, 45, 67

I have a line representation, for each PDB:
o.addRepresentation("line", {sele: "(1, 45, 67) and (not hydrogen)"})

And I wish the carbons on the selection to be a different color on each PDB. The heavy atoms of the sidechains should stay the standard color (N=blue, O=red, S=yellow, etc).

If I apply a color='green' to the representation, all atoms in the line get the same color. Heavy atoms are lost :(.

I alsot ried a ColormakerRegistry like this:

var schemeId = NGL.ColormakerRegistry.addSelectionScheme([
                ['green', "(1 or 45 or 67) and .C"]
], "Mutant "+mutantID);

no luck.

Any ideas
Thanks in advance

@pguillem Please ask the question in https://github.com/nglviewer/ngl since this is the repo for Python stuff.

Will do. Thank you very much.