How to select multiple residues by auth_sequence_id

Hi, until now I selected one residue with an expression I created and converted that to a structure selection (which then got focused), like in #120.

Now I have a different use case. I want to select multiple residues by their auth sequence id and focus them. It is clear for me how to select exactly one residue by its auth sequence id, the code I use is

const expr = MS.struct.generator.atomGroups({
      "residue-test": MS.core.rel.eq([
          MS.struct.atomProperty.macromolecular.auth_seq_id(),
          557, // or any other auth seq id
      ]),
})

const sel = Script.getStructureSelection(expr, root);

const loci = StructureSelection.toLociWithSourceUnits(sel);

What I need: An expression that can select multiple residues at once by their auth seq id (so [556, 558, …] for example). So is there an easy way to do this or to combine multiple single select expressions to one big expression?

Thanks in advance

[dvmoritzschoefl]

Thank you, that worked as expected, for anyone looking at this issue, here is the code that created the expression for selecting residues by their auth sequence id (and chain)

export function createSequenceIdExpression(
  sequenceIds: number[],
  chain?: string
): Expression {
  const query: any = {
    "residue-test": MS.core.set.has([
      MS.set(...sequenceIds),
      MS.ammp("auth_seq_id"),
    ]),
    "group-by": MS.struct.atomProperty.macromolecular.residueKey(),
  };

  if (chain) {
    query["chain-test"] = MS.core.rel.eq([
      MS.struct.atomProperty.macromolecular.auth_asym_id(),
      chain,
    ]);
  }

  return MS.struct.generator.atomGroups(query);
}

[eje24]

As a bit of clarification, what I’m trying to implement is the following. I’d like to take as input:

1. an atom from a particular residue on the protein (for example, the oxygen OE2, from the residue with sequence ID 65)
2. an atom from the ligand (for example, the nitrogen N2)

and apply the measure the distance between the two. This will take the form:

residueAtomLoci = getResidueAtomLoci(residueID = {id of residue eg 65}, atomName = {atom name eg OE2})
ligandAtomLoci = getLigandAtomLoci(atomName = {atom name eg N2})
Viewer.plugin.managers.structure.measurement.addDistance(residueAtomLoci, ligandAtomLoci);

What I’m trying to do is implement the functions getResidueAtomLoci and getLigandAtomLoci. Any help or suggestions would be much appreciated. In any case, thank you for your reply @kscgl! This gives me a good starting point to work from.