I'll definitely need those files, Steve, so I can check them myself. Bob
On Fri, Jan 30, 2009 at 8:33 AM, Stephen Hillier <[email protected]> wrote: > Angel, > > thank you this is useful for me to understand how to load mutiple unit cells, > but as you will see from my last post I think there is something else that > has confused me as well, because different CIF files for the same mineral > from reliable sources all appear to produce quite different results, and the > one example that I have fund that does appears to work correctly also does > not have the strangely placed atoms around the edge of the block of unit > cells. > > > steve > > > >>>> "Angel Herraez" <[email protected]> 30-Jan-09 1:56 pm >>> > Steve, It sees to me that instead of > "RELOAD {444 666 1}" > what you want may be the next menu entry, > "RELOAD {444 666 1}; display 555;" > Is it so? > > And this is what these menu entries do, respectively: > > save orientation; load "" {444 666 1} ; restore orientation; center; > > and > > save orientation; load "" {444 666 1} ; restore orientation; > unitcell on; display cell=555; center visible; zoom 200; > > So, for 3x3x3 cells out of 5x5x5, you may try > > load "myFile.cif" {333 777 1} ; > unitcell on; > display > cell=444,cell=445,cell=446,cell=454,cell=455,cell=456,cell=464,cell=46 > 5,cell=466,cell=544,cell=545,cell=546,cell=554,cell=555,cell=556,cell= > 564,cell=565,cell=566,cell=644,cell=645,cell=646,cell=654,cell=655,cel > l=656,cell=664,cell=665,cell=666; > center visible; zoom 200; > > Or, if the file is already loaded, change the first line for: > > save orientation; load "" {333 777 1} ; restore orientation; > etc. > > > ------------------------------------------------------------------------------ > This SF.net email is sponsored by: > SourcForge Community > SourceForge wants to tell your story. > http://p.sf.net/sfu/sf-spreadtheword > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > -- > Please note that the views expressed in this e-mail are those of the > sender and do not necessarily represent the views of the Macaulay > Institute. This email and any attachments are confidential and are > intended solely for the use of the recipient(s) to whom they are > addressed. If you are not the intended recipient, you should not read, > copy, disclose or rely on any information contained in this e-mail, and > we would ask you to contact the sender immediately and delete the email > from your system. Thank you. > Macaulay Institute and Associated Companies, Macaulay Drive, > Craigiebuckler, Aberdeen, AB15 8QH. > > > ------------------------------------------------------------------------------ > This SF.net email is sponsored by: > SourcForge Community > SourceForge wants to tell your story. > http://p.sf.net/sfu/sf-spreadtheword > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------------ This SF.net email is sponsored by: SourcForge Community SourceForge wants to tell your story. http://p.sf.net/sfu/sf-spreadtheword _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
