Обсуждение:Chemistry: различия между версиями

Текущая версия от 04:03, 20 февраля 2009

Делаю запись здесь, потому что всё в куче, не отсортированное и не причёсанное.

В планах добавить:

ccp4 - The Collaborative Computational Project Number 4 in Protein Crystallography
cctbx - Computational Crystallography Toolbox
mmLib - Python Macromolecular Library
Fox - ObjCryst++ Crystallographic C++ library, ab initio crystal structure solution from diffraction data
CBFlib - library of ANSI-C functions providing a simple mechanism for accessing Crystallographic Binary Files (CBF files) and Image-supporting CIF (imgCIF) files
Nanorex - developing open-source computational tools to support research in structural DNA nanotechnology (SDN)
g0penMol - tool for the visualization and analysis of molecular structures and their chemical properties
OpenMX (Open source package for Material eXplorer) - program package for nano-scale material simulations based on density functional theories (DFT)
ChemIO - High-Performance I/O for Computational Chemistry Applications

real 18:00, 19 февраля 2009 (UTC)

@@ Строка 10: / Строка 10: @@
 * '''[http://www.csc.fi/english/pages/g0penMol g0penMol]''' - tool for the visualization and analysis of molecular structures and their chemical properties
 * '''[http://www.openmx-square.org/whatisopenmx.html OpenMX]''' (Open source package for Material eXplorer) - program package for nano-scale material simulations based on density functional theories (DFT)
+* '''[http://www.emsl.pnl.gov/docs/parsoft/chemio/ ChemIO]''' - High-Performance I/O for Computational Chemistry Applications
 : [[Участник:Real|real]] 18:00, 19 февраля 2009 (UTC)
-[[Категория:SpecialSoft]]
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