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fu-suite

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A GUI program for structure modeling of giant molecules. This application consists of two programs, “fumodel” and “fuplot”. The former supports preparation of input data for FMO in GAMESS, whereas the latter is software for making graphs from numerical results obtained by FMO.

Information
Last Update:2021/03/06

Official site

https://sourceforge.net/projects/fusuite/

License

Availability Microsoft Windows 7 (minimum 2GB RAM) Versions for Mac OS X and Debian GNU/Linux will be released soon.
Core Developers Kazuo Kitaura (Graduate School of System Informatics, Kobe University), Dmitri G. Fedorov (National Institute of Advanced Industrial Science and Technology)
Target substance/model Proteins, molecular aggregates, and biopolymers
Physical quantities that can be computed Pair interaction energy (PIE); mutual interaction
Methodology FMO, first principles, and quantum chemical calculation
Related App
Other 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.
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