Abalone software download is a tool for molecular simulation software in chemistry and bioinformatics. With this software you can simulate a variety of compounds and structures such as proteins, hydrocarbons, perfluorocarbons, heavy elements and Any molecule via a default FF.
Abalone software is A package of molecular graphics with:
- Molecular model building
- Chain builder
- Free mouse drawing
- Geometry editor
- Bonds detection by distance
- Overlay
- Eliminating clashes
- Force Fields
- AMBER family
- AMBER-ii
- OPLS
- DREIDING like FF for an arbitrary molecule
- Semi-automated parameterization
- Implicit and explicit water models
- classical HMC
- xHMC
- Adaptive Temperature HMC
- GPU acceleration
- MD
- HMC
- Interface with quantum chemical programs
- ORCA
- NWChem
- Scripting
- Geometry optimization
- Conjugate gradients
- Steepest descent
- Molecular dynamics
- Verlet
- rRESPA
- OPVL and OVVL fourth-order integrators
- Replica exchange
- Hybrid Monte Carlo
