InSilicoLab - Trajectory Sculptor
Автор: ISL InSilicoLab
Загружено: 2012-12-11
Просмотров: 166
Описание:
The Trajectory Sculptor - a tool for extracting relevant parts from molecular dynamics trajectories. The tool is able to find the solute and a number of solvents in a user-defined distance from the solute molecule. The operation may be applied to the requested frames of the trajectory, which may become an input to a quantum chemistry program like Gaussian or GAMESS. The tool is placed in the InSilicoLab portal for chemistry (http://insilicolab.grid.cyfronet.pl), from where the resulting frames can be put directly as input to a Gaussian or GAMESS computation within the same portal. The results are pre-analysed and displayed in the portal after the computation.
For more information, visit the InSilicolab Website: http://insilicolab.cyfronet.pl
Follow us at:
Google+: https://plus.google.com/u/0/108656357...
Twitter: / insilicolab
.
Повторяем попытку...
Доступные форматы для скачивания:
Скачать видео
-
Информация по загрузке:
![Эффект Джанибекова [Veritasium]](https://imager.clipsaver.ru/N9HlQ-XVnFk/max.jpg)
![Как измеряют самые слабые силы во Вселенной? [Veritasium]](https://imager.clipsaver.ru/6lK2JVwajTw/max.jpg)
