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Bioclipse Bioclipse is a rich-client platform chemistry and biology workbench. It provides access to many open source bioinformatics and chemoinformatics toolkits and has plugins for the Chemistry Development Kit, JChemPaint, Jmol, and BioJava. Chemistry 4-D Draw (commercial) Chemistry 4-D Draw is an easy-to-use and powerful structure drawing program. ChemNomParse an open source project to create a chemical nomenclature parser. The project aims to build molecules from an IUPAC chemical name and comes in two parts: The ChemNomParse library - which contains the core of the project and is now part of the CDK and Nomen - A complete program which demonstrates the library's abilities CORINA (commercial) CORINA (COoRdINAtes), is a rule and data based system, that automatically generates three-dimensional atomic coordinates from the constitution of a molecule as expressed by a connection table or linear code. DisMol DisMol is a molecular viewer applet written in Java, which allows molecular structures to be viewed on the web. DL_MESO DL_MESO is a general purpose mesoscopic simulation package. DL_MESO consists of Lattice-Boltzmann Equation, Dissipative Particle Dynamics and Smoothed Particle Hydrodynamics. DL_POLY DL_POLY is a general purpose serial and parallel molecular dynamics simulation package. JChem JChem is a tool for developing applications that manipulate mixed chemical and corporate data. JChemPaint a 2D molecular structure editor written in Java, with a GUI based on the Swing toolkit JME Molecular Editor a free Java applet, which allows creation, editing, and display of molecules directly within a web page, and can generate molecular SMILES code Jmol Jmol is a free, Open Source molecule viewer and editor. It is a collaboratively developed visualization and measurement tool for chemical scientists. JOELib a platform independent open source computational chemistry package written in Java Marvin (commercial) a Java based chemistry software consisting of Marvin Applets, Marvin Beans, MarvinSketch and MarvinView NMRShiftDB NMRShiftDB is a web database for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (currently only for carbon) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. NMRViewJ (commercial) NMRView is a program for the visualization and analysis of NMR datasets. SketchEl SketchEl is an interactive chemical molecule sketching tool, designed for quick and simple entry of structures. The feature set is limited to those necessary to enter a single chemical species, in a form that might be used in a cheminformatic database, representing each atom and bond as a part of a labelled graph. WebMol WebMol was designed to display and analyze structural information contained in the Brookhaven Protein Data Bank (PDB).
