cdk-io

library2.7.1javamavenunverified

Modular library for Cheminformatics providing input/output functionality for chemical file formats.

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

github ↗homepage ↗docs ↗

INSTALL

IMPORT

SIG · CDK-IO

cdk-io

serializationjavav2.7.1

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.

IteratingMDLReader

✓ org.openscience.cdk.io.iterator.IteratingMDLReader

Reads molecules from an SDF file using the CDK IO library.

import org.openscience.cdk.io.iterator.IteratingMDLReader; import org.openscience.cdk.interfaces.IAtomContainer; import java.io.FileInputStream; IteratingMDLReader reader = new IteratingMDLReader(new FileInputStream("molecules.sdf")); while (reader.hasNext()) { IAtomContainer mol = reader.next(); System.out.println(mol.getAtomCount()); }

Debug

Known issues

No known issues recorded.

Upgrade

Version history

2.7.1latest on Maven

Audit

Dependencies

No dependency data recorded yet.

Agent activity

16 hits · last 30 days

node

OpenAI (training)

Resources

githubhttps://github.com/cdk/cdk ↗

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

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