MongoChem: Difference between revisions
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Refer to the [[build]] page for details of setting up and building the Open Chemistry project. The source code is available on [https://github.com/OpenChemistry/mongochem Github]. | Refer to the [[build]] page for details of setting up and building the Open Chemistry project. The source code is available on [https://github.com/OpenChemistry/mongochem 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 [http://openchemistry.org/files/mongochem-sample.json.bz2 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 == | == Screenshots == | ||
Latest revision as of 15:00, 22 February 2013
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
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Developer Information
For a description of the database schema see: MongoChem Schema.