Abalone features

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
  • Geometry optimization
    • Conjugate gradients
    • Steepest descent
  • Molecular dynamics
    • Verlet
    • rRESPA
    • OPVL and OVVL fourth-order integrators
    • Replica exchange
  • Hybrid Monte Carlo
    • classical HMC
    • xHMC
    • Adaptive Temperature HMC
  • GPU acceleration
    • MD
    • HMC
  • Interface with quantum chemical programs
  • Scripting

 

 

 

 

 

Software for


Examples

 

Manual