Update selectors.py for CYSP residue#755
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alexsodt wants to merge 1 commit intomarrink-lab:masterfrom
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CYSP residue was not previously detected and would trigger the molecule to not be recognized as a protein. There may be other modified residues that would lead to the same behavior. Ideally it would detect if a molecule is likely a protein, rather than this stringent test that every residue should be known.
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I am inclined to agree here, except that DSSP refuses to give any output if your molecule contains any residue that is not in its list of approved residue names. And this causes chaos on our side of things. Maybe we need to change the selector to "is_known_to_dssp" rather than "is_protein". Problem for later as far as I'm concerned. |
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There's also some unrelated test failures, seemingly due to the removal of pkg_resources. I'll take a look at that soon |
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Superseded by #756 |
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CYSP residue was not previously detected and would trigger the molecule to not be recognized as a protein. There may be other modified residues that would lead to the same behavior. Ideally it would detect if a molecule is likely a protein, rather than this stringent test that every residue should be known.