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Gabedit
Jul 20, 2023
Graphical user interface for several chemistry software packages
Gabedit is a Graphical User Interface for FireFly PC-Gamess, Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
Features
- Gabedit makes using Computational Chemistry Packages CCP simple and straightforward .
- Sketch in molecules using its advanced 3D Structure Builder, or load in molecules from standard files.
- Set up and submit CCP jobs right from the interface, and monitor their progress as they run.
- Examine calculation results graphically via state-of-the-art visualization features display molecular orbitals and other surfaces, view spectra, animate normal modes, geometry optimizations and reaction paths.
- Molecular Dynamics using Amber 99 molecular mechanics or Semi-Empirical potentials.
Checkout these related ports:
- Zx - MQT ZX A library for working with ZX-diagrams
- Zotero - Reference management for bibliographic data and research materials
- Yoda - Particle physics package with classes for data analysis, histogramming
- Xtb - Semiempirical Extended Tight-Binding Program Package
- Xmakemol - Molecule Viewer Program Based on Motif Widget
- Xdrawchem - Two-dimensional molecule drawing program
- Xcrysden - Crystalline and molecular structure visualisation program
- Xcfun - Exchange-correlation functionals with arbitrary-order derivatives
- Wxmacmolplt - Graphical user interface principally for the GAMESS program
- Wwplot - Plotting tool for experimental physics classes
- Wannier90 - Maximally-localized Wannier functions (MLWFs) and Wannier90
- Votca - CSG and XTP libraries for atomistic simulations
- Voro++ - Three-dimensional computations of the Voronoi tessellation
- Vmd - Molecular visualization program
- Vipster - Crystalline and molecular structure visualisation program