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Description

"Computational chemistry package for Gabedit a graphical user interface."
Computational chemistry packages such as GAMESS-US Gabedit, Gauss, Molcas, Molpro, MPQC, OpenMopac, PCGamess and Q-Chem

A graphical user interface
This includes support for most major molecular file formats that can display a variety of calculation results. Advanced "Molecule Builder" allows molecules rapidly and 3D sketch to examine them. Graphics in various formats, including animation, also, can be exported.


Main features
Be Gabedit GAMESS (U.S.), Gauss, MOLCAS, MOLPRO, MPQC, OpenMopac, PCGamess and Q input file creates a chemical.
Variety of graphics Gabedit GAMESS-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, PCGamess, Q-Chem and the following
Including molecular orbitals (partially) ADF calculation results can display.
Surface electron density, electrostatic potential, NMR, and other protective properties, select the intensity.
surfaces, semi-transparent and solid fence can be viewed as modes. They may have a separate feature by colorcoded.
Contours (colorcoded), Planes, Dipole colorcoded. XYZ axes and the principal axis of the molecule.
Normal modes of vibration frequency corresponding Animation.
Geometry rotation animation,,, airplanes, and the molecule's main axis xyz colorcoded contour surfaces. <Br> contour Animation, Animation colorcoded aircraft.
You can view Gabedit UV-Vis, IR and Raman Spectra computer.
Gabedit (including hydrogen bond geometry to create a povray file), surfaces (including surface colorcoded), contours, planes colorcoded.
Gabedit BMP, JPEG, PNG, PPM and PS format can save the picture.
Gabedit automatically, contours, planes colorcoded (vibration, geometry closer, you can create a series of rotating images for animation). Molecular Dynamics
Gabedit algorithms as () is implemented using Amber 99 molecular mechanics parameters. Now you can download free Gabedit 2.2.0.

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