molstar / molstar

A comprehensive macromolecular library

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Preserve Loci between assemblies

giagitom opened this issue · comments

Hi,

I am trying to generate an Expression from a Loci and than use the expression to make a selection and create a new loci based on a different structure (having a different Biological Unit for example)

I'm doing this in the following way:

const expression = Loci.toExpression(BU1_loci)
const selection = Script.getStructureSelection(expression, BU2_structure);
const BU2_loci = StructureSelection.toLociWithSourceUnits(selection);

The problem is that BU2_loci is always empty.
Am I doing something wrong? Or there is a different way to achieve this?

That is generally not possible. There is no general way o achieve this. Depending on what you want to do you could only work with Script Expressions and only convert them to Locis when needed.

Thanks, I'll keep this in mind.