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Sort nodes to group residues

Open pckroon opened this issue 1 year ago • 1 comments

Adds a processor to assign consecutive atomids to molecules, sorted by chain and resid. That way residues will be grouped together in the resulting PDB and ITP file(s).

@fgrunewald Is this more or less as you intended? If yes I'll add some tests.

pckroon avatar Oct 03 '22 13:10 pckroon