Description
The Extensible Computational Chemistry Environment (ECCE) is a package of
programs developed at the Pacific Northwest National Laboratory (PNNL). It
consists of a graphical user interface for building molecular systems and
submitting jobs to remote computational resources, as well as the storing and
managing of the results in a database. In this presentation the main features
of ECCE are discussed and recent developments for adapting it for use on grid
resources are presented.
Author
Dr
Olav Vahtras
