Home >> All >> joelib >> [ smiles Javadoc ]

• joelib.smiles: Javadoc index of package joelib.smiles.


Package Samples:

• joelib.smiles

Classes:

• JOESmilesParser: Parser for Simplified Molecular Input Line Entry System (SMILES) strings. Example: JOEMol mol=new JOEMol(); String smiles="c1cc(OH)cc1"; if (!JOESmilesParser.smiToMol(mol, smiles, setTitle.toString())) { System.err.println("SMILES entry \"" + smiles + "\" could not be loaded."); } System.out.println(mol.toString());
• JOESmiNode: SMILES node holding atom and bond informations.
• ClosureBond: Closure bond of an SMILES expression.
• JOEMol2Smi: Molecule to SMILES methods.

Home | Contact Us | Privacy Policy | Terms of Service