we are glad to announce that the final 1.3.0 release of VEGA package is now ready for free download on our web server (http://users.unimi.it/~ddl). VEGA was developed to create a bridge between most of the molecular software packages, like Quanta/CHARMm, Insight II, MoPac, BioDock, etc. In this tool have been also implemented some features that are useful to analyze, display and manage the 3D structures of molecules. The most important features implemented in VEGA are: - Several file formats supported for input and output. - Multiple files load for assemblies creation. - Atomic charge attribution. - Force field attribution. - Calculation of molecular surfaces. - Calculation of ligand-receptor interaction energy. - Evaluation of logP and lipole. - Dynamic trajectory analysis. - Molecule solvatation. Available OpenGL packages: - VEGA Win32 1.3.0 OpenGL Edition. Available standard packages: - VEGA AmigaOS 1.3.0 - VEGA Linux x86 (1.3.0) - VEGA Silicon Graphics IRIX 6.x (1.3.0) The VEGA OpenGL version allows to visualize 3D molecular structures in several draw mode (wireframe, CPK solid & wireframe, Van der Waals solid & wireframe) using an high optimized graphical engine. The VEGA OpenGL can calculate and display any type of molecular surface: Van der Waals, surface accessible to solvent (SAS), molecular electrostatic potential (MEP), hydropathicity surface (ILM), molecular lypophilicity surface (MLP), etc. Each surface can be colored in several modes (by atom, by molecule, by property, custom). The most significant features are: **** 3D Graphics **** - Strong hardware acceleration (depending on your graphic card). - 3D molecule view (wireframe, CPK wireframe, CPK solid, VdW wireframe, VdW solid). - 3D surface view with most coloring methods (property, atom type and custom). - 3D object manipulation. - Lighting (available with hardware acceleration only). - Smooth animations. - Color properties. - Labels (atom name, element, atom type, atom number and atomic charge). - Mouse control for rotations, translations, scale operations and animations. **** Graphic User Interface **** - All VEGA functions are available trough menu and/or requesters. - Extended menu with accelerators. - Context menu. - Buttons, radio buttons, combo boxes, list boxes, check boxes and sliders. - Copy & Paste operations. - Integrated Html help. **** Calculation Tools **** - Analysis of molecular dynamics trajectory files. - Graphic interface for BioDock 3.0. - Graphic interface for MoPac 6 (included in the package). - Molecular properties. **** Extra Tools **** - Integrated Mini Text Editor. - Integrated Graph Editor. - Task manager. **** External Tools **** - File decompressor (WinDD). - SendVegaCmd console command for batch file creation. **** Other **** - Communication port for batch file scripting (see SendVegaCmd utility). - Full language localization (locale.dll). - Pentium optimized code for maximum performances. - Demo. The VEGA OpenGL package was developed for Windows 9x/ME/NT/2000 only and in the future can be available for other operating systems with OpenGL API support. Thank you for your attention. Giulio Vistoli & Alessandro Pedretti -- Dr. Giulio Vistoli Ist. di Chimica Farmaceutica e Tossicologica Viale Abruzzi, 42 I-20131 Milano (Italy) Tel. +39-02-58357522 Fax +39-02-58357565 E-Mail: giulio.vistoli@unimi.it WWW: http://users.unimi.it/~ddl chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)