JOELib/JOELib2 2007-03-03

JOELib/JOELib2 is a Java-based chemoinformatics library.
JOELib/JOELib2 is a platform independent open source computational chemistry package written in Java.

Here are some key features of "JOELib JOELib2":

graph based structure to modify molecular structures
classes for getting the aromatic flags for atoms and bonds
classes for getting the hybridisation of atoms
'SMiles ARbitrary Target Specification' (SMARTS) substructure search
import and export filter for 'Simplified Molecular Input Line Entry System' (SMILES)
descriptor calculation classes
base classes for reading and writing molecular file formats
atom and bond properties classes (including import and export filter)
Chemical Markup Language (CML)
CACTVS's clear text format (CTX)
POVRay export (including aromatic rings)
Processes / External processes and process decision filters

What's New in This Release:

joelib2/src/joelib2/molecule/BasicConformerMolecule.java Bugfix for non-defined stereochemistry, which will now be retrieved from 2D/3D conformations.

last updated on:
March 3rd, 2007, 17:35 GMT
price:
FREE!
developed by:
Joerg K. Wegner
license type:
GPL (GNU General Public License) 
category:
ROOT \ Science and Engineering \ Bioinformatics

FREE!

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