Gabedit specifications

Information


Unique identifier OMICS_13869
Name Gabedit
Software type Package/Module
Interface Graphical user interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Programming languages C
License BSD 3-clause “New” or “Revised” License
Computer skills Medium
Stability Stable
Requirements
OpenGL (or Mesa3D), gtk+
Maintained Yes

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Publication for Gabedit

Gabedit in publications

 (4)
PMCID: 4065162
PMID: 24966893
DOI: 10.1021/jp501168b

[…] states employing the same level of theory. the energies and their corresponding oscillator strengths were retrieved using gausssum 2.2. molecular orbital plots were generated from “.cube” files with gabedit 2.4.6., the regioregular p3ht as the polymer matrix was chosen. photovoltaic cells were fabricated on ito-covered glass slides (15 mm × 15 mm) which were cleaned in an ultrasonic bath using […]

PMCID: 3665821
PMID: 23724004
DOI: 10.1371/journal.pone.0063805

[…] id: 1ao6) was obtained from the brookhaven protein data bank . from the 2d structure, the three-dimensional structure of coumarin derivatives was built, and the geometry was optimized through the gabedit 2.2.12 software . in autodock, water molecules and ions were removed (including ordered water molecules) and hydrogen atoms added at appropriate geometry groups within the protein, […]

PMCID: 3922481
PMID: 24551514
DOI: 10.1002/open.201200037

[…] order to confirm that a specific ts connects the different local minima. in addition, the imaginary frequencies were visually analyzed and proven to be the correct eigen vibration by animating it in gabedit. vibrational frequencies and zero-point vibrational energies (zpe) were determined within the harmonic oscillator approximation, at the same level of theory as that for geometries. […]

PMCID: 3360846
PMID: 22116607
DOI: 10.1007/s00894-011-1272-4

[…] the gaussian03 and gaussian09 software packages []. the nbo calculations were performed with the nbo 5.0 program [], while aim calculations were performed using aim2000 []. data were analyzed using gabedit [], and the visualizations were carried out with vmd [] and xdrawchem., the energies, the zero-point vibrational energies (zpe), and the gibbs free energy (δg) values based on the harmonic […]


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Gabedit institution(s)
Université de Lyon, Lyon, France; Université Lyon 1, Villeurbanne, France; CNRS, UMR 5579, LASIM, France

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