From owner-chemistry@ccl.net Tue Oct 5 14:37:00 2010 From: "Rene Thomsen rt---molegro.com" To: CCL Subject: CCL: Molegro releases Molegro Virtual Docker 4.2 Message-Id: <-42906-101005131656-7165-EmlQljclorNDOsyaeQrt3A]=[server.ccl.net> X-Original-From: "Rene Thomsen" Date: Tue, 5 Oct 2010 13:16:54 -0400 Sent to CCL by: "Rene Thomsen" [rt=molegro.com] Aarhus, Denmark, October 4th, 2010 - Molegro is pleased to announce a new release of Molegro Virtual Docker, an integrated platform for computational drug design available for Windows, Linux, and Mac OS X. Molegro Virtual Docker offers high-quality protein-ligand docking based on novel optimization techniques combined with a user interface experience focusing on usability and productivity. New features in version 4.2: * Support for custom coloring of molecules (atoms, residues, rings). * Visualization of hydrogen bonds and electrostatic interactions can now be customized. * Visualization settings (e.g. graphic styles, camera settings, custom coloring) is now stored in the workspace file (MVDML). * PDB header information and SDF annotations are now imported and stored as part of the workspace. * Improved parsing of PDB files (e.g. using PDB Compliancy information if available and refined thresholds for detecting covalent bonds). * Minor user interface improvements and bug fixes. For more information, or to download a trial version, please visit our company website at: http://www.molegro.com or contact: Rene Thomsen, CEO Molegro C. F. Moellers Alle 8, Bldg. 1110 DK-8000 Aarhus Denmark E-mail: rt#%#molegro.com Phone: (+45) 89 42 31 65 About Molegro Molegro is a Danish company founded in 2005. Our company concentrates on developing high- performance drug discovery solutions leading to a faster drug-development process. Our goal is to provide scientifically superior products focusing on both state-of-the-art algorithms and an intuitive graphical user interface experience.