cdk-data

library2.7.1javamavenunverified

Core data structures for cheminformatics, including molecules, atoms, and bonds.

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

github ↗homepage ↗docs ↗

INSTALL

IMPORT

SIG · CDK-DATA

cdk-data

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.

AtomContainer

✓ org.openscience.cdk.AtomContainer

Creates a simple molecule with one carbon atom.

import org.openscience.cdk.AtomContainer; import org.openscience.cdk.Atom; public class Main { public static void main(String[] args) { AtomContainer mol = new AtomContainer(); mol.addAtom(new Atom("C")); System.out.println("Molecule created with " + mol.getAtomCount() + " atoms"); } }

Debug

Known issues

No known issues recorded.

Upgrade

Version history

2.7.1latest on Maven

Audit

Dependencies

No dependency data recorded yet.

Agent activity

4 hits · last 30 days

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Resources

githubhttps://github.com/cdk/cdk ↗

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

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