The Renowned Shape Comparison Application by OpenEye Scientific Software is Now Available with Several New Significant Features, Including a Powerful Query Editor and an Intuitive User Interface

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 ROCS 3.0, the company’s acclaimed shape comparison application for virtual screening and lead hopping.

Most significant to this new release is the addition of vROCS, an innovative graphical front end. vROCS features an intuitive interface that enables a new user to jump right into using ROCS. It also provides a powerful query editor, enabling the advanced user to design more complex queries than were previously possible. Finally, understanding the importance of validation, vROCS also provides a collection of statistical tools to evaluate the performance of different constructed or available queries.

“The addition of vROCS brings more power and greater ease-of-use to ROCS,” noted Kevin Schmidt, Principal Developer at OpenEye and Lead Developer on vROCS. “It puts ROCS on the desktop for the novice user and opens the door to the creation and validation of new types of queries.” President and Founder Anthony Nicholls puts it more succinctly, “ROCS has always worked so well out of the box, we wondered what would happen if we actually gave it a box.”

In addition, ROCS 3.0 has added multiprocessor support via OpenMPI. ROCS can be run on multiple cores on a single machine or across a large network of multiple machines with extremely minimal configuration requirements.

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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.