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cxn_home
gradle/wrapper
html
src
.gitignore
LICENSE.txt
README.md
build.gradle
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README.md

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 a correct JChem Base license (provided to you by your sales contact) to cxn_home folder in this project and name the file as license.cxl.

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