Обсуждение:Chemistry: различия между версиями
Ilis (обсуждение | вклад) Нет описания правки |
Real (обсуждение | вклад) (добавил ChemIO) |
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* '''[http://www.csc.fi/english/pages/g0penMol g0penMol]''' - tool for the visualization and analysis of molecular structures and their chemical properties | * '''[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.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) | : [[Участник:Real|real]] 18:00, 19 февраля 2009 (UTC) | ||
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Текущая версия от 07:03, 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)