OMEGA Multi-Conformer Databases Now Compatible With MOE
OpenEye Scientific Software, Inc.
Matthew Stahl, Senior Vice President
+1 505-473-7385 x51
Chemical Computing Group, Inc.
Paul Labute, President and CEO
OpenEye Scientific Software, Inc., the developer of innovative molecular modeling and cheminformatics solutions for drug discovery, and Chemical Computing Group, Inc., a leading supplier of scientific software for Life Sciences, announced today the release of a utility allowing OMEGA conformer databases in OpenEye binary (oeb) format to be converted into a MOE compatible multi-conformer file.
“With the popularity of our conformer generator OMEGA, an increasing number of companies store OMEGA-expanded conformer libraries, including of their own corporate databases, in our highly compressed oeb format,” explained Dr. Matthew Stahl, Senior Vice President of OpenEye Scientific Software, Inc. “We are very pleased that a number of these customers, also licensees of MOE, now have the flexibility to use these libraries not only to feed our own downstream tools FRED and ROCS, but also as direct input for MOE. “
Paul Labute, President and CEO of Chemical Computing Group Inc., added: “We are pleased with the results of our integration efforts to combine the strengths of MOE and the strengths of OMEGA, and we feel that the combination will be of great benefit to our customers. Our 3D pharmacophore discovery and scaffold replacement applications are known for their speed and flexibility. The new utility from OpenEye provides a seamless integration of MOE and OMEGA.” He went on to say that, “We have received very positive feedback from our customers, especially those undertaking very large scale searches with MOE’s next-generation pharmacophore discovery tools.”
The utility is now available from OpenEye free of charge to existing OMEGA licensees. Downloadable from the company’s website as part of version 2.3, it becomes a supported part of the OMEGA suite of programs.
OpenEye Scientific Software Inc. is a privately held company headquartered in Santa Fe, New Mexico, with offices in Boston, Massachusetts and Strasbourg, France. It was founded in 1997 to develop large-scale modeling applications and toolkits. Primarily aimed towards drug discovery and design, areas of application include chemical informatics, structure generation, docking, shape comparison, charge & electrostatics and 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 HP, IBM, SGI and SUN flavors of UNIX. For further information on the company and its products, see www.eyesopen.com
Chemical Computing Group Inc. (www.chemcomp.com) is a leading supplier of scientific software for Life Sciences, headquartered in Montreal, Canada. Chemical Computing Group’s software platform is the Molecular Operating Environment (MOE) that integrates visualization, simulation and methodology development in one package. MOE contains a wide variety of built-in applications in the fields of Cheminformatics, Bioinformatics, Computer-Aided Molecular Design and Molecular Modeling. MOE runs on Windows, Linux, Macintosh and Unix computers both for the desktop and in parallel computing clusters. MOE is used by biologists, medicinal chemists and computational chemists in pharmaceutical companies, biotechnology companies and universities throughout the world.
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