Technical Specification

The chemoCR^TM core functionality is based on platform-independent JAVA libraries. Although the licensing mechanism is relying on operating system dependent libraries. We added some prototypic interfaces to external commercial software which can be installed optionally.

It has been extensively tested on UNIX^TM operating systems (Fedora Linux, Sun Solaris) and on Windows XP^TM. Users may apply our software interactively by a graphical user interface or run it distributed in batch processing mode in a grid enabled hardware environment.

The following configurations have been tested - but the software should not be limited to:

Workstation Configuration

• i686 architecture or sparc
• Linux (Fedora 3-6, SuSE 10.0), Windows XP, Solaris 9
• Java Runtime Environment (JRE) v1.5 and newer by SUN

Cluster Configuration (additionally)

• Job scheduling system (e.g. SGE v6.0u3)
• FLEXlm server v10.8 by Macrovision

Software which has been interfaced

• Java Advanced Imaging by SUN -> products -> java-media
• MarvinBeans by ChemAxon
• LexiChem (mol2name) by OpenEye
• International Chemical Identifier (InChI^TM) IUPAC

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