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Pakket: gabedit (2.2.12-1)

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graphical user interface to Ab Initio packages

Gabedit is a graphical user interface to computational chemistry packages like the Free Software package MPQC. Other (proprietary) packages supported include:

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

running locally or on a remote server (supporting FTP, RSH and SSH). It can display a variety of calculation results including support for most major molecular file formats. The advanced "Molecule Builder" allows to rapidly sketch in molecules and examine them in 3D. Graphics can be exported to various formats, including animations.

Tags: Field: Chemistry, Role: Program

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Platform Pakketgrootte Geïnstalleerde grootte Bestanden
i386 1.676,3 kB4.704,0 kB [overzicht]