This project contains sources to give code examples how to use Chemaxon JChem Base to search and store molecules.
Find sources in the src folder. If you want to compile and test, just run gradlew build. For this you have to set chemaxonRepositoryUser and chemaxonRepositoryPassword in gradle.properties.
Set up your license key as described here (making sure to copy the license-manager.properties file created in your user directory to the cxn_home folder in this project)
or (DEPRECATED, key usage is preferred)
copy all requested licenses (provided to you by your sales contact) to the cxn_home folder in this project and name the file as license.cxl.
The following licenses are needed to access all the examples:
- JChem Base
- Structure Search
- Geometry Plugin Group
- Protonation Plugin Group
- Partitioning Plugin Group
To try out the examples you must set your access in gradle properties as described above and must copy the corresponding license to cxn_home folder.
- On Linux, type
./gradlew <task_name> - On Windows, type
gradlew <task_name>
The example tasks are the following:
- runAsyncSearchExample
- runCalculatedColumnsSearchExample
- runChemicalTermsFilteringExample
- runDatabaseImportExample
- runDiverseSelectionExample
- runDuplicateSearchExample
- runHitColoringExample
- runMemorySearchExample
- runMultipleQueriesExample
- runPartialCleanExample
- runReactionSimilaritySearchExample
- runRetrievingDatabaseFieldsExample
- runRotateDatabaseHitsExample
- runRotateExample
- runSearchTypesExample
- runSearchWithFilterQueryExample
- runSimilaritySearchExample
- runSortedSearchExample
- runStandardizedMolSearchExample