Announcement: Version 2 of the Molecular Modeling Toolkit ========================================================= The Molecular Modelling Toolkit (MMTK) is an Open Source library for molecular simulation applications, written in Python with some C extension modules. In addition to providing ready-to-use implementations of standard algorithms, MMTK serves as a code basis that can be easily extended and modified to deal with standard and non-standard problems in molecular simulations. Version 2 contains many new features and enhancements compared to the previous version 1.2 The most important ones are - Ewald summation - new algorithm for nonbonded list generation (faster and uses less memory) - thermostat, barostat, and distance constraints (SHAKE) for MD - support for nucleotide chains (DNA, RNA) - deformation force field for normal mode calculations on big proteins - much extended manual Note that version 2 is not compatible with earlier releases, because it makes use of the package structure introduced with Python 1.5. All import statements must therefore be modified. For compatibility reasons, MMTK 1.2 will remain available in parallel with MMTK 2.0. For more information and for downloading, see the MMTK Web site at http://starship.python.net/crew/hinsen/MMTK/ or http://dirac.cnrs-orleans.fr/MMTK/ ------------------------------------------------------------------------------- Konrad Hinsen | E-Mail: hinsen@cnrs-orleans.fr Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-2.38.25.55.69 Rue Charles Sadron | Fax: +33-2.38.63.15.17 45071 Orleans Cedex 2 | Deutsch/Esperanto/English/ France | Nederlands/Francais ------------------------------------------------------------------------------- <P><A HREF="http://starship.python.net/crew/hinsen/MMTK/">MMTK 2.0</A> - the Molecular Modelling Toolkit, an Open Source library for molecular simulation applications, written in Python with some C extension modules. (09-Nov-99) -- ----------- comp.lang.python.announce (moderated) ---------- Article Submission Address: python-announce@python.org Python Language Home Page: http://www.python.org/ Python Quick Help Index: http://www.python.org/Help.html ------------------------------------------------------------