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Jars > Science > Chemistry > JOELib - an open source computational chemistry package

JARS Automatic Resource Listing
Category: Chemistry Language: Java

JOELib - an open source computational chemistry package

Computational library with following features: 'SMiles ARbitrary Target Specification' (SMARTS) substructure search, import and export filter for 'Simplified Molecular Input Line Entry System' (SMILES), descriptor calculation classes, reading and writing molecular file formats, getting the aromatic flags for atoms and bonds, getting the hybridisation of atoms, graph based structure to modify molecular structures.

Submitted by : Joerg Wegner
Resource URL : http://joelib.sourceforge.net/
Source Code : http://sourceforge.net/projects/joelib
Detailed Review : http://
Type : Application
Category : Chemistry
Language : Java
Marketing : Freeware
Development : Release
History : New Submission
Version : 2002-10-20
Date Submitted : 13-MAR-02
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