Gabedit

Gabedit Screenshot
  • Rating:
  • Version: 2.5
  • Publisher: gabedit.sourceforge.net
  • File Size: 6.57 MB
  • Date: Jul 26, 2017
  • License: Free
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Gabedit Download
Free Download Gabedit 2.5

Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, PCGamess and Q-Chem

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.

Gabedit includes an advanced Molecule Builder. You can use it to rapidly sketch in molecules and examine them in three dimensions. You can build molecules by atom, ring, group, amino acid and nucleoside. You can also read geometry from a file. Most major molecular file formats are supported.

Gabedit is a software that allows you to learn and know chemistry specification. Gabedit includes a Gaussian, Molcas, Molpro and MPQC Calculation Setup window which allows you to set up Gaussian, Molcas, Molpro and MPQC jobs in a simple and straightforward manner. Gabedit includes a text editor for editing Gaussian, Molcas, Molpro and MPQC input files.

Gabedit can graphically display a variety of Gaussian, Molcas, Molpro, MPQC and (partially) ADF calculation results.

Gabedit Features:
1. Gabedit can Creates input file for GAMESS(US), GAUSSIAN, MOLCAS, MOLPRO , MPQC, OpenMopac, PCGamess and Q-Chem.
2. Gabedit can graphically display a variety of Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, PCGamess, Q-Chem and (partially) ADF calculation results, including the following:
* Molecular orbitals.
* Surfaces from the electron density, electrostatic potential, NMR shielding density, and other properties.
* Surfaces may be displayed in solid, translucent and wire mesh modes. they are can be colorcoded by a separate property.
* Contours (colorcoded), Planes colorcoded, Dipole. XYZ axes and the principal axes of the molecule.
* Animation of the normal modes corresponding to vibrational frequencies.
* Animation of the rotation of geometry, surfaces, contours, planes colorcoded, xyz and the principal axes of the molecule.
* Animation of contours, Animation of planes colorcoded.

3. Gabedit can display UV-Vis, IR and Raman computed spectra.
4. Gabedit can generate a povray file for geometry (including hydrogen's bond),surfaces (including colorcoded surfaces), contours, planes colorcoded.
5. Gabedit can save picture in BMP, JPEG, PNG, PPM and PS format.
6. Gabedit can generate automatically a series of pictures for animation (vibration, geometry convergence, rotation, contours, planes colorcoded).
7. Simulated Annealing with Molecular Dynamics is implemented in Gabedit (using Amber 99 molecular mechanics parameters).

Requirements:
* GTK+ 1.2.7 or higher (but not gtk+2.0).

The license of this software is Free, you can free download and free use this cad software.

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