INSTALLATIONa. COOT (free software for crystallography, NO BioSolveIT tool! License file not needed) -lmb.cam.ac.uk/personal/pemsley/coot/ For those of you who want to see electron densities and get a feeling for the world of crystallographic refinements.b. BioSolveIT LeadIT v2.1.8 (License appended) www.biosolveit.de/download BioSolveIT's comprehensive SBDD suite for the cheminformatician. Due to short time available, will NOT be handled in the tutorial. (register as an academic.)c. BioSolveIT SeeSAR 3 www.biosolveit.de/download A "Personal SAR Assistant", speedy and visually helpful in lead optimization. Core tutorial program that we will use. (as above)License file installation1. Create a directory c:\biosolveit\license or so.2. Save the appended file to that directory (KEEP the file name extension)3. Tell the tools where the license is: a. LeadIT: i) go to LeadIT -> Global Preferences -> License Keys ii). ADD the path that you defined (example above: c:\biosolveit\license) to the dialog: iii) click APPLY and CLOSE (bottom right) b. SeeSAR: i) Go to the question mark symbol in the top right, click and select 'License' ii) DRAG and DROP the license file into the center field, click CLOSE
KNIME, the Konstanz Information Miner, is a visual platform for graphically building and editing workflows and data analysis pipelines from defined components called nodes. KNIME is developed by Prof. Michael Berthold at the University of Konstanz, Germany. It can be downloaded for free from www.knime.org . KNIME is built on the Eclipse Interactive Development Environment and written in Java. Versions are available for Mac OS X, Windows, and Linux and can be downloaded here. KNIME has rapidly become an invaluable cheminformatics workflow tool with many companies, institutions and individuals contributing nodes.
BioSolveIT SeeSAR Free Download
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