Page tree

Versions Compared

Key

  • This line was added.
  • This line was removed.
  • Formatting was changed.

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

 Reference


Panel

CodenameCode: mol2


Panel
titleSee also