A new scientific chemistry library for java.
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README.md

README.md

Razi

Razi is a new scientific chemistry library for java.

I started this project in December, 20, 2013 to make a free new open-source scientific library for java.

Installation

To use this library you can download the Razi.jar which exists in dist directory and import it into your project. also you can manipulate sources and compile it.

What can RAZI do ?

By now RAZI can be used to convert chemical table formats.

SMILES Parser

Use com.razi.formats.smiles.Reader for converting a SMILES string to Molecule model.

Reader sr = new Reader();
sr.set("C(=O)O");
sr.process();

Molecule mol = sr.get();

Descriptors

By now you can use com.razi.descriptor.molecular.CountDescriptor to count something in a molecule. For exmaple :

cd.countAtoms(); // Number of all atoms
cd.countBonds(); // Number of all bonds
cd.countBondsByOrder(2); // Number of bonds with order 2
cd.countAtomsByElement(element); // Number of all atoms which are the same with given `element`

What does Razi mean ?

Razi was a Persian alchemist and chemist.