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Tripos Mol2 import/export is alpha level in the current version of Marvin.

Only the following records are imported and exported:

  • @<TRIPOS>MOLECULE
  • @<TRIPOS>ATOM
    Import: x, y, z, atom_type, charge rounded to integer
    Export: atom_id(=atom index), atom_name, x, y, z, atom_type, subst_id=1, subst_name="noname", charge (integer)
  • @<TRIPOS>BOND

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