Sabtu, 05 Juni 2010

Avogadro 1.0.1 Portable : Editor Molekul Kimia Komputasi Cross-Platform



Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, to molecular modeling, bioinformatics, materials science and related fields.
It offers a flexible framework and a powerful rendering plug-in architecture. After installing the program stpnovitsya portable. Runs through avogadro.exe, located in the folder [bin]

Osban
* Cross-platform: Molecular Designer for Windows, Linux and Mac
* Free, Open Source. Easy to install and available all the source code (GNU GPL)
* International: Translations into Chinese, French, German, Italian, Russian, Spanish and more
* Intuitive: built-in easy to work for students and researchers as advanced.
* Speed: Support multithreading visualization and computation.
* Expandable: Plugin architecture for developers, including interactive instrumentoy, commands and scripts Python
* Flexible: Features include import of chemical File Open Babel, a computer package, crystals, biomolecules, etc.

Features:
* Built-in molecular mechanics (including MMFF94 and UFF).
* Enter the generation of Gaussian, GAMESS-US, Molpro, NWChem, Q-Chem, MOPAC, with the addition of packages in the future.
* Support crystallographic cells.
* Developer of oligopeptides.
* Visualizing isosurfaces and orbits, including the Gaussian cubes, OpenDX, and Gaussian files fchk.
* Animation calculated molecular vibrations and the trajectories of the reaction.
* Full range of views with zoom and continues to expand.
* Export models in POV-Ray.

In addition, Avogadro provides libraries (libavogadro), which can be used for software development.

The program does not provide the choice of language. Version 1.0.1 has only in English. It is proposed to fully russifitsirovanaya version 1.0.0 of 2009-10-23.

Avogadro 1.0.1 was released on 28 April 2010.
What's New
This is a stable bug-fix release, recommended for all users. The following list includes some of the bugs fixed since Avogadro 1.0.0:
* Fixed crashes and highlighting in Properties extension
* Fixed crash on exit if forcefields are missing
* 3D structures are now downloaded when using Network Fetch
* Fixed crash in Project Tree Editor
* Fixed open and save on Windows if non-latin symbols occur in path
* Fixed improper behavior of PluginListView (plugin info didn't change on keyboard movements)
New supplementary files:
* New avopkg tool for management of 3rd party plugins
* File avogadro.prf for integration with QMake build system for 3rd party extension developers
* Man pages for Unix platforms

Update: Apr 28, 2010
Platforms: Windows NT/2000/XP/2003/Vista/7
Languages: English, Russian

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