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www.openmolecules.org

Free services all around molecules. Welcome to this website, which was created as a platform to publish cheminformatics tools in the hope to contribute something useful for synthetic and medicinal chemists. The name-to-structure. Service should run in any browser, some tools are Java applets. And, therefore, need an installed Java Runtime Environment to work in a browser. And DataWarrior. Can be downloaded and installed on your computer. Torsion Explorer was released in 2012. DataWarrior updated to versi...

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Free services all around molecules. Welcome to this website, which was created as a platform to publish cheminformatics tools in the hope to contribute something useful for synthetic and medicinal chemists. The name-to-structure. Service should run in any browser, some tools are Java applets. And, therefore, need an installed Java Runtime Environment to work in a browser. And DataWarrior. Can be downloaded and installed on your computer. Torsion Explorer was released in 2012. DataWarrior updated to versi...

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www.openmolecules.org | baldurweb.com Reviews

https://baldurweb.com

Free services all around molecules. Welcome to this website, which was created as a platform to publish cheminformatics tools in the hope to contribute something useful for synthetic and medicinal chemists. The name-to-structure. Service should run in any browser, some tools are Java applets. And, therefore, need an installed Java Runtime Environment to work in a browser. And DataWarrior. Can be downloaded and installed on your computer. Torsion Explorer was released in 2012. DataWarrior updated to versi...

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baldurweb.com

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www.openmolecules.org

http://www.baldurweb.com/help/basics.html

Free services all around molecules. Main and Detail Views. Reference and Example Files. Paste Data from the Clipboard. Import Data from Databases. Graphical 2D- and 3D-Views. Bar Charts And Pie Charts. Box Plots And Whisker Plots. Chemical Search And Replace. Unifying 2D Atom Coordinates. Data From Custom URL. Recording and Running Macros. Global and User Macros. Macros From Command Line. This section explains general concepts and explains important keywords. Main View Area and Detail Area. Can be maximi...

2

www.openmolecules.org

http://www.baldurweb.com/datawarrior/download.html

Free services all around molecules. Download DataWarrior V4.4.1. Was developed in the Java programming language and needs a Java Runtime Environment (JRE) installed on your computer to work. Linux distributions usually come with Java preinstalled. MacOS-X typically asks, whether to install a JRE once you try launching DataWarrior. With a JRE missing. On Windows, if no JRE is installed, DataWarrior. Would simply refuse to start. Also supports the OpenJDK. Is a dmg image file. Is an .msi file using the...

3

www.openmolecules.org

http://www.baldurweb.com/torsionexplorer/intro.html

Free services all around molecules. First draw a chemical structure in the editor, which should be valid in terms of valances, atom charges and stereo-chemical assignments. Then switch to the lasso tool and move the mouse pointer over any rotatable single bond. Atom decorations show atom properties of the substructure: a:aromatic,! A:non aromatic, r:ring member, sp2:flat hydrogen. A yellow marker on the central bond indicates a ring bond. First public release of DataWarrior.

4

www.openmolecules.org

http://www.baldurweb.com/about.html

Free services all around molecules. This site is owned and maintained by Thomas Sander, who has a PhD in organic chemistry, developed an organic reaction retrieval system during his postdoc and spend then more than 20 years in the pharmaceutical industry mainly designing and developing cheminformatics tools, algorithms, and databases. Currently, he is in charge of the drug discovery informatics department at Actelion Pharmaceuticals Ltd. First public release of DataWarrior. DataWarrior was upgraded to ve...

5

www.openmolecules.org

http://www.baldurweb.com/torsionexplorer/index.html

Free services all around molecules. A conformational analysis, i.e. the prediction of low energy 3D-conformations for a given molecule, requires to correctly estimate for any rotatable bond the 360 degree torsion potential curve to locate the minimum-energy torsion angles. Investigating x-ray structures of related molecules can give valuable hints. Is a free tool that was build to simplify and accelerate this comparison. For any rotatable bond of a drawn molecule. First public release of DataWarrior.

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Free services all around molecules. Welcome to this website, which was created as a platform to publish cheminformatics tools in the hope to contribute something useful for synthetic and medicinal chemists. The name-to-structure. Service should run in any browser, some tools are Java applets. And, therefore, need an installed Java Runtime Environment to work in a browser. And DataWarrior. Can be downloaded and installed on your computer. Torsion Explorer was released in 2012. DataWarrior updated to versi...

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