Gabedit
Gabedit is a Graphical User Interface to GAMESS (US), Gaussian, MOLCAS, MOLPRO, MPQC, OpenMopac, PC GAMESS, ORCA and Q-Chem computational chemistry packages.
![]() A screenshot of Gabedit 2.0.1 | |
Developer(s) | A.R. ALLOUCHE |
---|---|
Stable release | 2.5.0
/ July 10, 2017 |
Repository | ![]() |
Operating system | OS Portable (Source code to work with many OS platforms) |
Type | Molecular modelling |
License | BSD License |
Website | gabedit |
Major features
- Builds molecules by atom, ring, group, amino acid and nucleoside.
- Creates an input file for computational chemistry packages.
- Reads output from the ab initio packages, and supports a number of other formats.
- Displays molecular orbitals or electron density as contour plots or 3D grid plots and output to a number of graphical formats.
- Animates molecular vibrations, contours, isosurfaces and rotation.
gollark: I plug in my laptop most of the time, and it still has 97.7% battery health apparently.
gollark: I don't know, discharging it is what causes the actual battery health decrease.
gollark: Maybe you've been treating it badly.
gollark: Regular computers can sometimes stay on during a very brief power outage, because their power supplies have capacitors in them for mysterious electrical engineering reasons.
gollark: That's enough time to shut down during a power outage.
See also
- List of molecular graphics systems
- PC GAMESS
- ORCA
- Quantum chemistry computer programs
- SAMSON
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