cdk-interfaces

library2.7.1javamavenunverified

Provides core interfaces for the Chemistry Development Kit (CDK), a modular cheminformatics library.

<dependency>
  <groupId>org.openscience.cdk</groupId>
  <artifactId>cdk-interfaces</artifactId>
  <version>2.7.1</version>
</dependency>

github ↗homepage ↗docs ↗

INSTALL

IMPORT

SIG · CDK-INTERFACES

cdk-interfaces

utilityjavav2.7.1

harness data pending

Install & Compatibility

Where this runs

No compatibility data collected yet for this library.

Code

Verified usage

Verified import paths — ran on the pinned version, not inferred.

IAtomContainer

✓ org.openscience.cdk.interfaces.IAtomContainer

Create an IAtomContainer to represent a chemical molecule.

import org.openscience.cdk.interfaces.IAtomContainer; import org.openscience.cdk.DefaultChemObjectBuilder; public class Example { public static void main(String[] args) { IAtomContainer mol = DefaultChemObjectBuilder.getInstance().newAtomContainer(); System.out.println("Atom container created"); } }

Debug

Known issues

No known issues recorded.

Upgrade

Version history

2.7.1latest on Maven

Audit

Dependencies

No dependency data recorded yet.

Agent activity

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Resources

githubhttps://github.com/cdk/cdk ↗

homepagehttp://sourceforge.net/projects/cdk/ ↗

docshttps://appdoc.app/artifact/org.openscience.cdk/cdk-interfaces/ ↗