Power query in Marvin

news · 10 years ago

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A complex query in Marvin, all query features can be processed by JChem Base and JChem Cartridge.

Features shown:

  • lists / not-lists
  • query atom types (A - any, Q - hetero)
  • query properties (aromatic, aliphatic, unsaturated, valence, substituent number, implicit/total hydrogen number, ring atom)
  • stereochemistry
  • abbreviated groups