Tripos Mol2 format

Code: mol2

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