Subject: ArgusLab 3.0 beta release available

From: "Mark A. Thompson" <[email-masked]>
Date: Wed, 21 Nov 2001 15:03:26 -0800

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  ArgusLab 3.0 beta release is now available
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We are excited to announce the release of the beta version of ArgusLab 3.0
ArgusLab is used by thousands of researchers and academics around the world.
ArgusLab delivers state-of-the-art graphics and computational methods and is known as one of the easiest, most intuitive, molecular modeling programs currently available.

Please visit http://www.planaria-software.com  to download a copy.

New Features
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Extensive support for Surfaces: simple, difference, mapped, and mapped difference.
Incredibly easy-to-use Surface construction and editing tool.
Render surfaces in opaque, translucent, mesh, and dot
Generate grid files for surfaces: orbitals, electron density, electrostatic potential, and spin density.
Import Gaussian cube files for surfaces.
Read molecule structure from Gaussian .log files
Clipping plane for surfaces.
Automatic assignment of atomic hybridization.
Automatic assignment of force field atom type.
Automatic ring finder and aromatic ring display.
Improved interface to the SCRF solvent model.
Printing.
Charge equilibration charges for the UFF force field.
Extensive support of Undo/Redo for all user-input to the graphics window.
Space filling rendermode added.
Apply rendermode options to subsets of atoms and bonds.
Apply automatic hybrid, ffatom type, and ring finding to subsets of atoms
Apply geometry optimization updates to subsets of atoms.
Set background color
Lots of bug fixes from ArgusLab 2.0
Greatly enhance HTML help system with tutorials.

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Full list of 3.0 features
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Interactive 3D Molecule Builder with:  
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Interactive 3D manipulator
Fragment Library
Beautify Geometry
Automatically Add/Hide/Delete Hydrogens
Cut/Copy/Paste
Supports complete Undo/Redo for all user input actions
Render modes: wireframe, ball & cylinder, cylinder, and space filling
Geometry Monitors
Periodic table tool for selecting new or modifying existing atoms
Set background color
Clipping planes for surfaces
Apply render modes to selected subsets of atoms and bonds
Render Surfaces as opaque, mesh, dot, and translucent
Automatic assignment of atom hybridization and bond orders
Support for automatically finding rings and assigning aromatic rings
Automatic assignment of force field atom types

 Calculation Types  
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Single-Point Energies
Optimize Geometries
Electronic Excitation Spectra
Improved interface to Self Consistent Reaction Field (SCRF) Solvent Model
 
Properties
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Generate Surfaces: simple, difference, mapped, and mapped difference using any grid data
Calculate grid data for surfaces: orbitals, electron density, electrostatic potential, spin density
Import Gaussian cube files for use in rendering surfaces
Ground and excited state dipole moments
Transition moments
Ground and excited state Mulliken and ZDO charges
Rotary strengths for excited states

Molecular Mechanics
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Universal Force Field (UFF) for the entire periodic table
Calculates Charge-Equilibration charges from the Rappe' & Goddard model

Quantum Mechanics
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Extended Huckel with parameters for the entire periodic table (supports fractional orbital occupations)
MNDO, AM1, and PM3 semi-empirical Hamiltonians
ZINDO semi-empirical Hamiltonian for excited states
Restricted and Unrestricted Hartree-Fock SCF
Enhanced ZINDO parameters stored in a user-modifiable external file
Heats of formation for MNDO, AM1, and PM3
 
Miscellaneous  Printing
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File Types: supports XYZ, PDB, ArgusLab XML, and Gaussian .log file formats
HTML Help
No size limitations for number of atoms
Multi-threaded architecture allows multiple molecules opened simultaneously and running calculations
Runs on Windows 98, Win ME, Windows NT 4.0, Windows 2000, and Windows XP