Any Windows Software - Shareware and Freeware Download Center for Windows

Top Downloads

New Downloads

Catalog

Recent Searches

Latest Reviews

  • Lodgit Desk Hotel Software for Mac   (Arnold)

    I run a small guest house in Nepal where this software is in use for last two years, we felt this is good enough for any...

  • XolidoSign   (Zico)

    Allows me to insert signature on any document automatically before dispatching, other software requires manual instruction.

  • Wurlie   (Tenesy)

    Make unlimited number of short urls with this script without knowing much about processes that take place in background.

  • Start Hotspot   (heltvet)

    You may turn your android phone to a wifi hotspot but your data may be misused unless you have some sort of control over...

  • NCheck Bio Attendance Trial for Windows   (Jeusme)

    The system is implemented in my office premises, it maintains the employees in and out time accurately, helps the accounts...

  • FirePlotter   (Kacper)

    Monitors all in-coming and outgoing traffic to your PC, also shows the consumed bandwidth to calculate internet bill.

  • FolderMill   (Fairyn)

    FolderMill is an automation software which looks for incoming files and send them to printer by filtering as per your...

  • DocuVieware   (Sigfrid)

    Fully featured document viewer which can be added in your page to load and read almost any type files, the software can...

  • Kiosk Software   (Emmerentiana)

    Restricts access to the public computers and kiosks to prevent changes or viruses from affecting it, hence you need no...

  • Vrode Script Editor   (Brochan)

    If you are a script coder you must have gone through some of the popular editors for writing new scripts or editing the...


Gabedit Screenshot

 

Advertisement

    



Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, 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. Major features: Gabedit can Creates input file for GAMESS(US), GAUSSIAN, MOLCAS, MOLPRO , MPQC, OpenMopac, Orca, PCGamess and Q-Chem. Gabedit can graphically display a variety of Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess, Q-Chem , (partially) ErgoSCF 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. Gabedit can display UV-Vis, IR and Raman computed spectra. Gabedit can generate a povray file for geometry (including hydrogen's bond),surfaces (including colorcoded surfaces), contours, planes colorcoded. Gabedit can save picture in BMP, JPEG, PNG, PPM and PS format. Gabedit can generate automatically a series of pictures for animation (vibration, geometry convergence, rotation, contours, planes colorcoded). Simulated Annealing with Molecular Dynamics is implemented in Gabedit (using Amber 99 molecular mechanics parameters).

Back to Gabedit Details page

a - b - c - d - e - f - g - h - i - j - k - l - m - n - o - p - q - r - s - t - u - v - w - x - y - z - #
© 1997-2015 ShareMe Last Update: Wednesday, December 13, 2017 shareme | contact | notice | privacy | bookmark | link to us

Welcome to the ShareMe. Shareme is a dedicated internet portal bringing users the latest shareware & freeware from the world's best Software Authors. Shareme allows Shareware & Freeware Authors to submit their latest wares, so you the user are able to download their latest software updates all the time, after they are released! Always visit Shareme for your software needs.