The Nemesis package is the set of programs for molecular modelling. It consists from three major parts: Nemesis, Charon, Hades.

Nemesis program

The Nemesis program is the most important part of package. It allows users to build molecules from prefabricated (defined by user) structure blocks. It allows to specify what calculation tasks and properties should be calculated. Calculation itself is performed via Charon/Hades interface. Of course, calculated results can be visualized and in special cases it is also possible to visualize partial results. 


Charon manages computational tasks. It is small batch system for Windows architecture (something like NQE or PBS). It collects information about submitted, running and finished jobs. Users can get detailed information about current and previous states of jobs as well as change their state. This system also notificates Nemesis program about the changes of job states (and Nemesis responds to these notifications).


Hades is special layer that is used by the Charon for job execution. It translates Nemesis job specification into particular job input data and processes results into format that the Nemesis understands. 

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