Volume 84 Issue 18 | pp. 35-36
Issue Date: May 1, 2006

Digital Briefs

New Software and Websites for the Chemical Enterprise
Department: Science & Technology

The following products were on display at the exposition during the American Chemical Society's national meeting in Atlanta.


Molecular Operating Environment (MOE) is a comprehensive suite of computational chemistry, molecular modeling, and informatics software. Its individual applications include Protein Modeling, Structure-Based Design, Bioinformatics, Molecular Modeling and Simulations, and Methodology Development and Deployment. MOE is portable and allows users to run the software on a wide range of hardware and platforms, including Windows, Linux, Mac . . .

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Palmtop for Chemists

Labacus is a personal laboratory informatics device for chemists that fits in a pocket but includes all of the computational capabilities needed for everyday lab tasks. The chemist enters the amount of one component in a reaction, and Labacus computes stoichiometries for everything in the reaction. In addition to chemical calculations, Labacus allows users to sketch reactions with a stylus and to search from a database of frequently used chemicals. Data can be automatically synchronized and integrated with desktop tools, including Excel and ChemDraw. Abacalab, www.abacalab.com


Word Processing for Organic Chemists

Data Transcriber is a word processing tool for organic chemists. It allows chemists to transcribe the NMR data of 25 compounds in less than two hours. On-screen prompts guide users through the application, allowing text editing, moving of full spectra, and appending of mass spectra and CHN reports. The software makes the entire data set permanently visible within a standardized frame of reference, so users have an undistorted view of the entire spectrum. The software is available for Windows. ChemScribe, www.chemscribe.com

Chemical & Engineering News
ISSN 0009-2347
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