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IMPORTANT: This project can only be compiled & run in Java 8 currently.

About

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 chemaxonUser and chemaxonPassword in gradle.properties.

You can find the original HTML files in html folder.

Prerequisites

Copy all requested license (provided to you by your sales contact) to 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

Running an example

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 exmaple tasks are the followings:

  • runAsyncSearchExample
  • runCalculatedColumnsSearchExample
  • runChemicalTermsFilteringExample
  • runDatabaseImportExample
  • runDiverseSelectionExample
  • runDuplicateSearchExample
  • runHitColoringExample
  • runMemorySearchExample
  • runMultipleQueriesExample
  • runPartialCleanExample
  • runReactionSimilaritySearchExample
  • runRetrievingDatabaseFieldsExample
  • runRotateDatabaseHitsExample
  • runRotateExample
  • runSearchTypesExample
  • runSearchWithFilterQueryExample
  • runSimilaritySearchExample
  • runSortedSearchExample
  • runStandardizedMolSearchExample

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