SANTA FE, N.M.–OpenEye Scientific Software, Inc. (www.eyesopen.com) the developer of innovative molecular modeling and cheminformatics solutions for drug discovery, announced the release of AFITT 2.0, the company’s highly acclaimed software for crystallographers.

“We are very excited about this highly anticipated release as it significantly enhances the usability of AFITT while adding important new functionality”

AFITT is the only software on the market to offer a fully automatic ligand fitting process that optimizes a real-space fit to density while keeping conformational strain to a minimum. It capitalizes on a combination of core technologies that OpenEye has developed, specifically conformer generation, shape potential, high quality small molecule structure minimization, and visualization.

“We are very excited about this highly anticipated release as it significantly enhances the usability of AFITT while adding important new functionality,” remarked Dr. Joseph Corkery, Vice President of Business Development at OpenEye Scientific Software, Inc.

AFITT 2.0 now includes a completely automated, simple to use wizard that walks you through the entire workflow process. The newly streamlined, task based interface makes working with AFITT more intuitive and user-friendly. Additional features to AFITT 2.0 include:

• 2D and 3D molecular editor

• Previously defined residue detection

• Automatic covalent detection

• Direct plug-ins for transfer of data to Coot or VIDA

• Improved support for REFMAC and CNS/CNX

A complete list of all the new AFITT features can be found at https://www.eyesopen.com/products/applications/afitt.html

ABOUT OPENEYE SCIENTIFIC SOFTWARE

OpenEye Scientific Software Inc. is a privately held company headquartered in Santa Fe, New Mexico, with offices in Boston, Massachusetts, Strasbourg, France and Nara, Japan. It was founded in 1997 to develop large-scale molecular modeling applications and toolkits. Primarily aimed towards drug discovery and design, areas of application include:

chemical informatics

structure generation

docking

shape comparison

electrostatics

crystallography

visualization

The software is designed for scientific rigor, as well as speed, scalability and platform independence. OpenEye makes most of its technology available as toolkits – programming libraries suitable for custom development. OpenEye software typically is distributable across multiple processors, supports 64-bit processing, and runs on Linux, Windows and Mac OS X, as well as IBM and SUN flavors of UNIX. For further information on the company and its products, see www.eyesopen.com.