MESHI: a new library of Java classes for molecular modeling Academic Article uri icon


  • Summary: Adapting a modular and object-oriented approach in the design of molecular modeling packages may reduce the software development barrier between ideas and their programed applications. Towards this goal we developed MESHI, a new, strictly object-oriented, molecular modeling suite written in Java. MESHI provides a comprehensive library of extendable classes for all the essential components of molecular modeling: molecular and geometry elements, energy functions and optimization methods. Availability: MESHI and its related documentation are freely available at; the MESHI API is available at Contact: Supplementary information: The Supplementary information includes (1) a detailed description of several key packages and classes, and (2) a brief presentation of results achieved by using the MESHI application---Beautify---in the CASP6 experiment.

publication date

  • January 1, 2005