At 17:03 05/10/2006, Bob wrote: >This article refers to cases where there are interior cavities, so I thought >it might be neat to depict those as well in color in an automatic sort of way. >With slab mode in Jmol, of course, one can take a look inside the surfaces.
This looks very exciting for inorganic structures as well. But for them we would prefer to use ionic radii for calculating the inner cavities to locate eg sites for extra atoms, even hydrogen. This is 10.9.71 right ? I am playing with it now. BTW I sent a picture of an inorganic structure to Nico as Bob suggested - cavities in Zeolite-rho. Alan. _____________________________________________________________ Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTECTED]>fax+33.476.20.76.48 +33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/ _____________________________________________________________ ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys -- and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
