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Quanta/CHARMm BasicsDescriptionQUANTA is a powerful software tool for molecular modeling, analysis and visualization. Scientific Computing and Visualization has recently purchased a copy of Quanta2006 and the associated program CHARMm 32b1. This program is outside our areas of expertise and you will need to experiment with it and consult the manuals we have.Highlights: This package is an extremely popular and useful package for biologists doing molecular modeling and computation. Availability and SetupQuanta is available only on the Linux Cluster. CHARMm is available on both the pSeries machines and Linux ClusterTo invoke Quanta, type: When you first run Quanta, a dialog box will appear telling you that you do not have certain startup files. Click on Cancel and it will ask if you wish to proceed with the default files. Click on Yes and the files .cst and autostart.rec will be generated holding the necessary startup information. Using QuantaQuanta and CHARMm are somewhat outside of our fields of expertise and we are therefore unable to provide more detailed help and instructions on the package's use.CHARMm can be run from within Quanta by using the CHARMm menu. You can also run charmm from the command line by simply typing charmm Additional Help/DocumentationA large collection of Quanta documentation is available. In addition, there are a set of tutorials on using the X-ray applications available.Online, you should consider visiting the Accelrys WWW Server as they are the developers of Quanta. Information on CHARMm is available here and on it's development site. Document Name: quanta Author/Maintainer: Aaron D. Fuegi (aarondf@bu.edu) and Wayne Gilmore (waygil@bu.edu) Executable: /usr/local/bin/quanta, /usr/local/bin/charmm Keywords: quanta, charmm, molecule, molecular, simulation Machines List: IBM p690 and IBM p655 (charmm only), Linux Cluster Created May 22, 1995; Last Revised May 10, 2006; Last Modified 17:28 22-May-06 URL of this document: http://scv.bu.edu/Graphics/quanta.html Go up to SCV Help Pages |
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| OIT | CCS | September 21, 2007 |