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ArgusLab


A molecular modeling, graphics, and drug design program

ArgusLab is a very useful, highly-featured and easy-to-use molecular modeling, graphics, and drug design program

Here are some key features of "ArgusLab":

· ArgusDock : the new drug docking code. Contains both the GADock and ArgusDock docking engines and the AScore scoring function with a preliminary set of parameters. Make sure you read the docking tutorials in the Help/Tutorials menu option.
· Ribbon rendering for proteins : with several coloring options.
· Solvent accessible surfaces
· Display bumps and hydrogen bond monitors between ligands and protein targets
· Gaussian 98 & Gaussian 03 interfaces: easily set up and run Gaussian calculations on your local Windows PC. Outputs, surfaces plots, etc. are automatically added to the Calculation results in the Molecule Treeview. ArgusLab wraps the Gaussian calculation so effectively, you'll think it's a part of ArgusLab itself. You can also save ArgusLab-generated input files to run Gaussian offline or on another machine.
 

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RasMol

What is Rasmol?

RasMol is an excellent and free molecular viewer available for Windows, Macintosh and UNIX platforms

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PyMOL

PyMOL is a USER-SPONSORED molecular visualization system on an OPEN-SOURCE foundation

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ACD/ChemSketch

ACD/ChemSketch  is a popular and comprehensive chemical drawing package, intended for home and educational use only. Since 1998, ACD/Labs has provided ChemSketch  to >330 academic institutions worldwide. Every day another 500 downloads from BIS Web site further distributes the power of this chemical structure drawing package to desktops around the world. Among many other features, this product offers IUPAC chemical naming (up to 50 functional atoms); prediction of logP; comprehensive report creation; tautomer recognition; 2D structure cleaning; 3D optimization and viewing; drawing of polymers, organometallics, and Markush structures; and as well as access to the chemistry Web search engines PubChem, eMolecules, and ChemSpider.

Version 11.01 build 22419 includes several changes such as interface changes, improvements in structure representation, augmented handling of images and files, and other improvements.

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