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About ECCE

ECCE is a domain encompassing problem-solving environment for computational chemistry. ECCE is composed of a suite of distributed client/server UNIX based Graphical User Interface applications seamlessly integrated together. The resulting environment enables research scientists to transparently utilize complex computational modeling software accessing high-performance compute resources from their desktop workstations.

The ECCE application software currently runs on Linux workstations. See platform requirements for more information.

The ECCE software architecture is based on an object-oriented chemistry data model to support the management of computational and experimental molecular data. A flexible high performance data management component, based on web technologies for data interchange and Extensible Markup Language (XML) for data storage, has been developed by the ECCE team. The environment is built for extensibility to support new computational codes and new capabilities through script files for managing both code input and output rather than reworking the core applications.