Bob Hanson wrote: > Does anyone know what different file formats use to designate isotopes? > I guess PDB uses "D" but what about other isotopes. > > I'm thinking of extending the XYZ reader to accept them like this: > > 13C 3.4 5.6 7.8 > C 2.3 4.4 4.4 > 12C 3.2 3.3 3.3 > > Then at least we can have something to work with. > Are you sure that the XYZ format is supposed to have isotopes number ?
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