No default chain identifier

marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies

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No default chain identifier #430

Open fgrunewald opened 2 years ago

fgrunewald commented 2 years ago

If no chain is provided in the PDB somehow we don't set the default A. Is that correct?

pckroon commented 2 years ago

IIRC we keep the chain as a length 0 string. I'm unclear on what the desired behaviour is. If you're given a PDB file with chain='A' and chain='', should they be different?