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Tripos Mol2 format

Code : mol2

The support of this file format will be discontinued by the following action plan:

From version 26.1.0, the related operations and API elements are deprecated.
From version 27.1.0, all related operations are printing a warning message on the standard output.
From version 28.1.0, all related operations and API elements are removed.
For further information, please see the related announcement

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)