TmoleX is a graphical user interface to quickly handle Turbomole calculations.
- Import from many common file formats including: .xyz, sdf, ml2, mol2, pdb, .chem3d and specialized file formats: .car., arc, .cosmo, .energy, coord, .cml.
- Export to .xyz, sdf, ml2, pdb, .chem3d, .cosmo, .energy, coord, .cml.
- Generate 3D structures from SMILES for life science applications.
- Integrated molecular builder.
- Export of MOs to WFN, molden, and AOMix.