Menu
Home
People
Places
Arts
History
Plants & Animals
Science
Life & Culture
Technology
Reference.org
Molecular Modelling Toolkit
open-in-new
<h2 id="features">Features</h2> <ul><li>construction of molecular systems, with special support for proteins and nucleic acids</li> <li>infinite systems or periodic boundary conditions (orthorhombic elementary cells)</li> <li>common geometrical operations on coordinates</li> <li>rigid-body fits</li> <li>visualization using external PDB and VRML viewers; animation of dynamics trajectories and normal modes</li> <li>the AMBER 94 force field, with several options for handling electrostatic interactions</li> <li>a deformation force field for fast normal mode calculations on proteins</li> <li>energy minimization (steepest descent and conjugate gradient)</li> <li>molecular dynamics (with optional thermostat, barostat, and distance constraints)</li> <li>normal mode analysis</li> <li>trajectory operations</li> <li>point charge fits</li> <li>molecular surface calculations</li> <li>interfaces to other programs</li></ul> <h2 id="see-also">See also</h2> <ul><li><a href="/facts/List_of_software_for_molecular_mechanics_modeling/RabeF7vR">Software for molecular mechanics modelling</a></li></ul> <h2 id="external-links">External links</h2> <ul><li><a href="http://dirac.cnrs-orleans.fr/MMTK/">Official website</a></li> <li><a href="https://www.python.org/about/success/mmtk/">Background information</a></li></ul> <h2 id="references">References</h2> <ol> <li id="fn:1"><p>Hinsen K (2000). "The Molecular Modeling Toolkit: A New Approach to Molecular Simulations". J. Comput. Chem. 21 (2): 79–85. doi:10.1002/(SICI)1096-987X(20000130)21:2<79::AID-JCC1>3.0.CO;2-B. <a href="/wiki/Doi_(identifier)" target="_blank">/wiki/Doi_(identifier)</a> <a href="#fnref:1" class="footnote-back-ref">↩</a></p></li> <li id="fn:2"><p>Hinsen K (2000). "The Molecular Modeling Toolkit: A New Approach to Molecular Simulations". J. Comput. Chem. 21 (2): 79–85. doi:10.1002/(SICI)1096-987X(20000130)21:2<79::AID-JCC1>3.0.CO;2-B. <a href="/wiki/Doi_(identifier)" target="_blank">/wiki/Doi_(identifier)</a> <a href="#fnref:2" class="footnote-back-ref">↩</a></p></li> </ol>