基本情報
Last Update:2021/03/06
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| 利用環境 | Microsoft Windows 7 (minimum 2GB RAM) Versions for Mac OS X and Debian GNU/Linux will be released soon. |
|---|---|
| 開発者 | Kazuo Kitaura (Graduate School of System Informatics, Kobe University), Dmitri G. Fedorov (National Institute of Advanced Industrial Science and Technology) |
| 対象となる物質・モデル | Proteins, molecular aggregates, and biopolymers |
| 求められる物理量 | Pair interaction energy (PIE); mutual interaction |
| 手法 | FMO, first principles, and quantum chemical calculation |
| 関連アプリ | |
| その他 | The software supports execution of python shell within the program, allowing researchers to easily add new functions to suit their needs. You can also launch MatPlotLib, a highly functional graphing software, from within the program. It is hoped that python scripts developed by users will be freely shared. |