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Document: mmtl-manual
Title: Molecular Modelling Toolkit documentation manual
Author: Konrad Hinsen <konrad.hinsen@synchrotron-soleil.fr>
Abstract: mmtk_
 Library for molecular simulation applications, which includes
 .
 + construction of molecular systems, with special support for proteins
   and nucleic acids
 + infinite systems or periodic boundary conditions (orthorhombic elementary cells)
 + 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 (steepest descent and conjugate gradient)
 + molecular dynamics (with optional thermostat, barostat, and distance constraints)
 + normal mode analysis
 + trajectory operations
 + point charge fits
 + molecular surface calculations
 + interfaces to other programs
Section: Text

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