AMemorizedObject <p>Copyright: Actelion Ltd., Inc. All Rights Reserved This software is the proprietary information of Actelion Pharmaceuticals, Ltd.

Project: User: rufenec Date: 4/2/13 Time: 2:08 PM

A parser is used to load and save molecules from the filesystem. The save procedure is optional @author freyssj

Basic Interface for all editor actions

Project: User: rufenec Date: 2/1/13 Time: 4:03 PM

AminoAcidLabeled <p>Copyright: Idorsia Pharmaceuticals Ltd., Inc. All Rights Reserved This software is the proprietary information of Idorsia Pharmace

AminoAcidsLabeledContainer The txt file was generated with com.actelion.research.chem.parsers.pdb.ProcessLabeledAminoAcids <p>Copyright: Idorsia Pha

Angle table, corresponds to the MMFFANG.PAR parameters table provided in the MMFF literature. This table provides parameters for angle bending interac

The angle type class provides static functions for getting angle and stretch bend MMFF type.

This class provides various operations on angles, while making sure that the values is always in the rangle from -pi >= v > pi.

Angle bending energy term class. This energy term represents the angle bending energy associated with three bonded atoms A1--A2--A3 with an angle at A

Utility/Convenience class. Use GWTEditorService.App.getInstance() to access static instance of GWTEditorServiceAsync

Project: User: rufenec Date: 5/16/13 Time: 3:46 PM

Atom table, corresponds to the MMFFPROP.PAR parameters table provided in the MMFF literature. This table specifies the chemical, topological and geome

The Atom type class provides static functions to perform atom typing on atoms in a Molecule. There are also several helper functions used in Atom typi

Project: User: rufenec Date: 2/1/13 Time: 4:13 PM

Project: User: rufenec Date: 5/22/13 Time: 4:00 PM

Project: User: rufenec Date: 7/4/2014 Time: 12:36 PM

Project: User: rufenec Date: 7/4/2014 Time: 10:50 AM

ModelAtom <p>Copyright: Idorsia Pharmaceuticals Ltd., Inc. All Rights Reserved This software is the proprietary information of Idorsia Pharmaceuticals

@version: 1.0, February 2018 Author: J. Wahl basic class to describe Gaussian functions used for the calculation of Molecular Volumes Gaussian functio

Project: User: rufenec Date: 6/17/2014 Time: 10:04 AM

Handles attropisomery as well as chiral allenes

The BadAtomTypeException is thrown when there is a bad atom type in a molecule. This is for atoms that are not recognised by the atom typer.

The BadRingAromException is thrown when there is a problem with the MMFF ring aromaticity assignment. This is for molecules where the MMFF ring aromat

container of an undirected edge @author joel

Bndk table, corresponds to the MMFFBNDK.PAR parameters table provided in the MMFF literature. This table provides parameters used in the empirical rul

Bond table, corresponds to the MMFFBOND.PAR parameters table provided in the MMFF literature. This table holds parameters for bond stretching interact

The bond type class provides static functions for getting the MMFF bond type (either by bond or by the atoms of a bond).

Project: User: rufenec Date: 1/28/13 Time: 1:07 PM

An exception class to be used with the BondCalculator class.

Project: User: rufenec Date: 1/28/13 Time: 1:07 PM

Project: User: rufenec Date: 7/4/2014 Time: 11:18 AM

Bond stretching energy term class. This energy term represents the bond stretching energy associated with two bonded atoms A1--A2.

BondsCalculator is used to recreate the bonds and / or calculate the bonds orders based on the 3D coordinates of the atoms

Use nested class to avoid clinit on outer.

Created by rufenec on 20/03/15.

Emulate the BufferedReader class, especially for the GWT module. @author Jerome Louvel

http://burtleburtle.net/bob/c/lookup3.c ------------------------------------------------------------------------------- lookup3.c, by Bob Jenkins, M