Web pages

A comprehensive and up-to-date introduction to the ideas of molecular dynamics and Monte Carlo, with statistical mechanical background, advanced teclmiques and case studies, supported by a Web page for software download. 

In addition to this Textbook, a web page has been estabhshed which provides interesting information including list of URL s and figures (as PDF) to download, and details on chemoinformatics curricula. Moreover, it can also be used as a forum to obtain important information on the book, to find corrections of errors (if any), and to discuss aspects of chemoinformatics. The URL is http //www2. chemie.uni-er an%en.de/puh ications/ci-bQokfindex. html... 

The JME Editor is a Java program which allows one to draw, edit, and display molecules and reactions directly within a web page and may also be used as an application in a stand-alone mode. The editor was originally developed for use in an in-house web-based chemoinformatics system but because of many requests it was released to the public. The JME currently is probably the most popular molecule entry system written in Java. Internet sites that use the JME applet include several structure databases, property prediction services, various chemoinformatics tools (such as for generation of 3D structures or molecular orbital visualization), and interactive sites focused on chemistry education [209]. 

The basic function of the JME Editor is to allow the creation and modification of molecules and reactions directly within a web page. The editor has all the standard chemical drawing and editing capabilities, mduding a rich set of keyboard shortcuts for adding common structural fragments easily (Figure 2-130). 

The JME applet is written in Java 1,0, which is available in all types and versions of web browsers, The size of the program elasses is minimal (about 40 kB), which assures fast loading. In addition, the editor may be used in a stand-alone mode as a Java application within web pages as an applet. Thanks to the independence of the Java platform, JME can run on Windows PCs, Mac/OS machines and practically all UNIX clones, including, of course, LINUX. 

URL miscellaneous anima- editor - editor saiptable Rama- open web page specialized high-quality... 

Figure 2-135. Hemoglobin displayed on a web-page with Chime. The display can be manipulated interactively with the mouse button.

When the button "submit smiles is pressed, the SMILES string is sent to the web server of Molsoft, converted to 3D, and the 3D structure is displayed in a java molecule viewer on an automatically created web page (see Figure 2-139). Unfortunately, the Molsoft server does not support downloading of the 3D structures in a standard file format. 

The huge number of websites on the Internet (about 2,5 billion web pages December, 2002) containing chemical information is a great challenge when one is attempting to find specific information on a topic. Therefore numerous search engines have been developed and offered that provide fast access to the data. 

The authors emphasize on their web pages that UFF is not designed to be used in conjunction with partial atomic charges, as it is the default option in several software packages. A second point is that UFF is often used to model biological... 

There are many links to online information on Soaring Bear s web page at... 

Program documentation is available as postscript, text, or Web pages. None of these seemed to give a comprehensive description of the program functionality and controls. 

This book grew out of a collection of technical-support web pages. Those pages were also posted to the computational chemistry list server maintained by the Ohio Supercomputer Center. Many useful comments came from the subscribers of that list. In addition, thanks go to Dr. James F. Harrison at Michigan State University for providing advice born of experience. 

ICAO 1999. Institute of Clean Air Companies internet web page www.icac.com. Control Technology Information Fabric Filters, page last updated January 11, 1999. STAPPAIALAPCO, 1996. State and Territorial Air Pollution Program Administrators and Association of Local Air Pollution... 

AAF International, Inc., internet web page www. aafint/com/equipmentl, Core Products Information, last updated December, AWMA, 1992. 

IFF, 1999. Industrial Filter Fabric, Inc., Internet Web page www.filters.com. Product Bulletin 003 Cartridge Filters, December, 1999. 

A question often asked when dealing with hazardous materials is whether a eertain site is eompliant with the Proeess Safety Management Guidelines as well as HAZWOPER guidelines. In order to answer this question, we have modified a Department of Labor doeument and ineluded it below. Should the reader desire more information on this subjeet, refer to the OSHA web page for the following publieation U.S. Department of Labor Oeeupational Safety and Health Administration 1994. 

These calculations were carried out using the Internet web pages constructed by Charlotte Froese-Fischer, http //hf5.vuse.vanderbilt.edu/hf.html... 

CAMPUS , the database of Bayer plastic properties can also be downloaded from this web page. 

Figure 15. Electrochemically stimulated swelling (a to f) or shrinking (f to a) of the polymeric structure. (Taken from the Web page of the Laboratory of Electrochem, University of the Basque Country with permission of the authors.)...

The Association of Occupational and Environmental Clinics (AOEC) has developed a network of clinics in the United States to provide expertise in occupational and environmental issues. Contact AOEC, 1010 Vermont Avenue, NW, 513, Washington, DC 20005 Phone 202-347-4976 FAX 202-347-4950 e-mail AOEC AOEC.ORG Web Page httD //www.aoec.org/. 

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