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[ 源代码: gabedit  ]

软件包:gabedit(2.5.1~20200828-1)

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graphical user interface to Ab Initio packages

Gabedit is a graphical user interface to computational chemistry packages like:

 - MPQC
 - GAMESS-US
 - Gaussian
 - Molcas
 - Molpro
 - Q-Chem

These Ab Initio software packages might run locally or on a remote server (supporting FTP, RSH and SSH). Gabedit can display a variety of calculation results including most major molecular file formats. The advanced "Molecule Builder" allows one to rapidly sketch in molecules and examine them in 3D. Graphics can further be exported to various formats, including animations.

标签: 领域: 化学, 用户接口: Graphical User Interface, X 窗口系统, 角色: role::program, uitoolkit::gtk, X 窗口系统: 应用程序

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mipsel 1,636.5 kB7,878.0 kB [文件列表]