4.1.1 Molecules
Multiple molecule formats are supported for reading and include:
- OpenEye OEBinary format v1 and v2 (.bin and .oeb)
- MDL, RDF, and SDF
- Tripos MOL2, MOL2H
- Daylight SMILES, canonical SMILES, and isomeric SMILES
- ChemDraw CDX
- Isis Sketch
- MacroModel
- MOPAC
- PDB
- XYZ
Subsections
