ArgusLab is a molecular modeling program that runs on Windows 98, NT, and 2000. ArgusLab consists of a user interface that supports OpenGL graphics display of molecule structures and runs quantum mechanical calculations using the Argus compute server. The Argus compute server is constructed using the Microsoft Component Object Model (COM).

ArgusLab 1.0

• Quantum mechanical methods: AM1, PM3, MNDO, EHT, INDO/s
• Single-point energies, optimize geometries, electronic absorption spectra.
• Self consistent reaction field (SCRF) solvent model for INDO/s electronic spectra.
• Dipole moments, Mulliken and ZDO charges, Wiberg bond orders.
• Multi-threaded: can run several calculations simultaneously. Takes advantage of multiprocessor PCs.
• Graphics: multiple rendering styles, virtual trackball for manipulating the molecule.
• Display of geometry monitors and atomic labels.
• Size limit: None (other than the available addressible memory on your machine).
• File formats: xyz for reading and saving molecule structures. Beta bld #2 can read pdb files.
• Runs on Windows 95/98 and Windows NT 4.0

Overview of 2.0 features:

1. Interactive 3D Molecule Builder with:
   • Interactive 3D manipulator
   • Fragment Library
   • Beautify Geometry
   • Automatically Add/Hide/Delete Hydrogens
   • Cut & Paste
   • Supports Multiple-Level Undo/Redo
   • Multiple Rendering Styles for Atoms and Bonds
   • Geometry Monitors
2. Calculation Types
   • Single-Point Energies
   • Optimize Geometries
   • Electronic Excitation Spectra
   • Self Consistent Reaction Field (SCRF) Solvent Model for Electronic Spectra
3. Molecular Mechanics
   • Universal Force Field (UFF) for the entire periodic table
4. Quantum Mechanics
   • Extended Huckel for entire periodic table
   • MNDO, AM1, and PM3 semi-empirical Hamiltonians
   • INDO1/s semi-empirical Hamiltonian
   • Restricted and Unrestricted Hartree-Fock SCF
5. File Types: supports XYZ, PDB, and ArgusLab XML file formats.
6. HTML Help
7. No size limitations for molecules or calculations other than available system resources
8. Multi-threaded architecture allows multiple molecules opened simultaneously and running calculations
9. Runs on Windows 95/98, Windows NT 4.0, Windows 2000

ArgusLab 3.0

Last minute features added:

• MDL Mol file support.
• Gaussian formatted checkpoint file support.
• Improved PDB file support.

• Extensive support for rendering surfaces.
• Powerful 3D interactive molecule builder.
• Build and optimize structures for the entire periodic table.
• Support for spectroscopy, geometry optimizations, energies, and properties

Please register if you download the program. The more people who use it, the more we are inclined to continue giving it away for free and to fix bugs.