Fix exception with unknown residues #322
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Thanks. How soon could we expect this to be in a release? (My course conda/mamba installs openmm, so I need to know if this will be in a release before I get to the lecture, which is probably mid-February.) |
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I think we can do that. Let's wait a little longer to give time for more bugs to come up. If I haven't created a new release by the end of the month, remind me and I'll do it then. |
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Fixes #321. The error happened in a file containing the residue ID UNL (unknown ligand). The CCD contains an entry for it, but it's a minimal file with no atoms. That led to an exception.