org.jscience.chemistry.gui.extended.molecule
Class MolTranslateMOL2

java.lang.Object
  org.jscience.chemistry.gui.extended.molecule.MolTranslateMOL2

public class MolTranslateMOL2
extends java.lang.Object

Translates Tripos MOL2 files to/from Tripos Java Molecule format.

See Also:

Modified: Zhidong Xie (zxie@org.jscience.chemistry.gui.extended.com) Eliminated AMIDE bond handling date: 20 Aug 1997

Constructor Summary

MolTranslateMOL2()

Method Summary

static java.lang.String	toMOL2(Molecule in) Translates from Molecule to MOL2
static Molecule	toMolecule(java.io.InputStream in) Translates from MOL2 to Molecule If the InputStrean is from a multi-mol2 file, only one molecule will be read at a time.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

MolTranslateMOL2

public MolTranslateMOL2()

Method Detail

toMolecule

public static Molecule toMolecule(java.io.InputStream in)

Translates from MOL2 to Molecule If the InputStrean is from a multi-mol2 file, only one molecule will be read at a time.

Parameters:

in - MOL2 input stream

toMOL2

public static java.lang.String toMOL2(Molecule in)

Translates from Molecule to MOL2

Parameters:

in - molecule to translate