Engineering package


Features & Capabilities

Simple drag-and-drop operations to move datasets between MAPS client and databases. Search for properties in combination with 2D sub-structures then produce flexible reports. Consolidate knowledge by keeping only one copy of each unique molecule.


MAPS DATABASE manager shows databases, projects, experiments and molecules within a hierarchical dis­play and enables the loading of datasets into MAPS or saving into any database via simple drag-and-drop operations.

All molecule and conformation-level properties are accessible to database searches, together with 2D sub-structures. Search results can be expanded into report-like tables by addition of properties which are of inter­est over and above those used as search criteria. User defined attributes added through the MAPS property viewer can be marked as “save to database” in which case the new molecule or conformation-level proper­ty automatically becomes searchable within any data­base into which that molecule or experiment is saved.

Any file which can be opened by MAPS client can also be saved into a MAPS DATABASE. Data is saved and retrieved via exchange of XML documents with MAPS Webservice API, which is optimized to speedup large scale “repeat Save” operations.

MAPS DATABASES can be distributed across user ma­chines and remote servers (Windows or Linux). Based on open-source Tomcat and PostgreSQL components.


Improve your workflows and avoid repeated work by saving your molecules, experiments and study tables into shared database(s)
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