Chem3D Ultra 10.0 with MOPAC
Introduction
Chem3D Ultra adds to Chem3D Pro by including Model Explorer, ChemDraw LiveLink, Dihedral Driver, Automatic Overlay, CS MOPAC, GAMESS & Gaussian clients, as well as the ChemDraw, E-Notebook & ChemFinder applications.
In addition to the features offered by Chem3D Pro, Chem3D Ultra allows you to:
- Select multiple molecules and let Chem3D automatically align them with a target molecule.
- New conformational analysis tool allows the generation of MM2 energy plots.
- Simultaneous 2D & 3D editing! Draw structures using a ChemDraw window embedded in the Chem3D application. This powerful feature adds a 2D view that is always in-sync with the 3D view.
- Hierarchical tree-control for exploring the structure of large models. Import a PDB file and examine chains, groups, and ligands. This new feature gives fine-grained control.
- Query ChemFinder database by 3D parameter.
- Create drawings with different styles in different parts of the document.
- Structure clean-up improves poor drawings.
- Draw a structure or model and immediately get online vendor information from ChemACX.Com with the click of a button.
- Identify stereocenters using Cahn-Ingold Prelog rules.
- Fujitsu’s MOPAC 2000 is now available through Chem3D’s easy graphical interface. Calculate transition state geometries and physical properties using AM1, PM3, MNDO, MINDO/3, and new MNDO-d.
New features in version 10.0 allow for full MS Office integration via OLE and improved graphic features.