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Errors and limitations

Python errors derive from CrabWurcsError:

  • ParseError for invalid or unrecognized input.
  • ConversionError for unsupported output conversion.
  • NonConcreteError when a graph does not denote one molecule.
  • PdbError for structure parsing and extraction failures.
  • RenderError for SNFG/SVG/PNG failures.

Generic residues, compositions, undefined linkage positions, probability ensembles, undefined modifications, and variable repeats are not converted to an arbitrary concrete molecule. Exact-count repeats and finite defined cyclic graphs may be materialized.

Format conversion cannot restore information absent from the source. PDB coordinates without adequate component identity, bonds, or stereochemical geometry may yield conservative unknown values or no glycan rather than a chemically invented answer.