This is intended to allow you to experiment with features of openCHORD. The following demos are available:

fragments

uses Marvin to input a structure which is then analyazed to determine the fragments it contains. Two fragment tables are used (tpsa and public166keys) and two fragment methods (atom_smarts and bond_smarts). Choose which to use from the pull-down menu in the upper left of the application window. Press the Fragments button and mouse-over the table of results to highlight which atoms or bonds appear in each fragment.

search

uses Marvin to input a structure which is used in a similarity search of a structure table in the openchord database. Click the Search button and mouse-over the table of results to show similar compounds.

database

uses PhpPgAdmin to allow you to browse the test database, enter SQL commands and otherwise play around with the test database. It is not intended for heavy use nor to upload data. If you would like to continue, please contact us at info@gnova.com for login credentials.

Once phpPgAdmin has started, click on the X labeled ChemicalRDBMS to enter your login name and password.

If you would like to run your own database server and extend it with openCHORD functions, follow these instructions.

There is also phpPgAdmin demo site, but this has nothing at all to do with gNova or CHORD.