Version 1.2b1 of the Molecular Modeling Toolkit is available

Konrad Hinsen hinsen@cnrs-orleans.fr
Fri, 17 Jul 1998 16:34:25 +0200 (DFT)


Update: The Molecular Modeling Toolkit, version 1.2b1
=====================================================

The Molecular Modelling Toolkit (MMTK) is a program library for
molecular simulation and modelling applications. Its aim is to provide
researchers, especially those working on the development of new
modelling methods, with a code basis that can be easily extended and
modified to deal with standard and non-standard problems in molecular
modelling. MMTK is free software.


The new release 1.2b1, adds new features and improvements. Some
highlights:

- Fast-multipole electrostatics via the DPMTA library.
- Additional C-alpha-only protein model for faster analysis.
- Faster energy evaluation.
- Numerically stable SVD-based charge fitting procedure.
- Enhanced visualization functions.

For details and for downloading, check the MMTK home page:

     http://starship.skyport.net/crew/hinsen/mmtk.html

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