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
See also