Jan wrote: > Yes, > there is an excellent tutorial on crystallography by Bernhard Rupp > http://www-structure.llnl.gov/Xray/101index.html > e.g. > http://www-structure.llnl.gov/Xray/tutorial/serial.gif
Yes indeed! This looks very good for me. >>Q: I don't want to go into too much detail on this yet, but can someone >> tell me what the general scheme is for naming one of these reflection / >> rotate / spacegroup copies that is within the unit cell ? >> >> > I don't know, in Swiss PDB Viewer Deep View you can address them by > clicking on the symmetry operations belonging to a space group > http://au.expasy.org/spdbv/text/xsymtut.htm > But there could be build numbers out of this see the PDB file 1gu8 > (NNNMMM N->operator M->translation vektor) I don't really understand this. [snip] >>Now, Jmol already has some support for holding more than 1 copy of the >> same thing. PDB files have the concept of a 'model' that is supposed to >> be multiple copies of what is fundamentally the same thing. >> >> > no, > models exist in a "parallel world" or at an other time point, Oh well, so we need separate data structures. > the > molecules in the unit cell or multicell ?box of unit cells? > may interact > with each others, e.g. H-bonds Correct ... of course. > e.g. 1gu8 > http://www.imb-jena.de/cgi-bin/SCOPlnk.exe?JMOL=1gu8 Good example Thanks, Miguel ------------------------------------------------------- SF.Net is sponsored by: Speed Start Your Linux Apps Now. Build and deploy apps & Web services for Linux with a free DVD software kit from IBM. Click Now! http://ads.osdn.com/?ad_id=1356&alloc_id=3438&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
