marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies
Apache License 2.0
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PDB reader silently fails #411

Open fgrunewald opened 2 years ago

fgrunewald commented 2 years ago

Apparently of the Model number exceeds 10000 the pdb reader fails without error and just returns an empty list. Not sure how much this is a PDB format thing, but I'm pretty certain it should raise an error or such.