Molecular Modelling Toolkit

Features

• construction of molecular systems, with special support for proteins and nucleic acids
• infinite systems or periodic boundary conditions
• common geometrical operations on coordinates
• rigid-body fits
• visualization using external PDB and VRML viewers; animation of dynamics trajectories and normal modes
• the AMBER 94 force field, with several options for handling electrostatic interactions
• a deformation force field for fast normal mode calculations on proteins
• energy minimization
• molecular dynamics
• normal mode analysis
• trajectory operations
• point charge fits
• molecular surface calculations
• interfaces to other programs