MongoChem

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MongoChem (originally ChemData) is a graphical Qt application that uses MongoDB to store chemical data, and VTK to visualize/explore the data.

Get MongoChem

Refer to the build page for details of setting up and building the Open Chemistry project. The source code is available on Github.

Importing a Sample Database

We have prepared a sample database, populated with some descriptors, images etc. We will update this periodically, and it is provided to allow you to get up and running with a set of sample data prepared for you. You can download sample data here (MD5 sum: cdf221b9b1ee9248d777f636de582ac0), and run the following commands (assuming you have already installed MongoDB on the localhost),

 bunzip2 mongochem-sample.json.bz
 mongoimport --db chem --collection molecules mongochem-sample.json

You can then open the MongoChem application, built using the instructions above, and connect to localhost and the 'chem' database (assuming you used the database specified above).

Screenshots

Developer Information

For a description of the database schema see: MongoChem Schema.