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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
Format: HTML
Index: /usr/share/doc/python-mmtk/html/index.html
Files: /usr/share/doc/python-mmtk/html/*
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