From: Brian M. <bm...@iu...> - 2007-01-31 09:33:43
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Hello list The IUCr journals web site Crystallography Journals Online (http://journals.iucr.org) has implemented a Jmol plug-in visualization for each CIF supporting a crystal structure reported in any of its journals. From the table of contents of any issue (e.g. Acta Crystallographica Section C, January 2007: http://journals.iucr.org/c/issues/2007/01/00/issconts.html) click on any "3-d view" button to bring up a page with a Jmol applet per structure reported in the article. Note that this second page also has a "3-d view" button, which allows the user to download and visualize the data block in an external helper application of his or her own choice. [This helper could itself be Jmol, if desired - we'll add that suggestion to the documentation in the near future. Other typical programs used by readers are RasMol and the CCDC's Mercury.] We have been keen to introduce this feature for some time, and have earlier considered Chime and other applications. However, the recent extensions of Jmol to support detailed crystallographic views and polyhedra have made it the natural candidate of choice, and we're happy to introduce this functionality to the crystallographic community. In practice, biological macromolecular structures aren't handled because the journals just provide pointers in these cases to PDB entries. Congratulations to all involved with Jmol for producing such a valuable tool. Brian _________________________________________________________________________ Brian McMahon tel: +44 1244 342878 Research and Development Officer fax: +44 1244 314888 International Union of Crystallography e-mail: bm...@iu... 5 Abbey Square, Chester CH1 2HU, England bm...@iu... |