At 17:04 25/04/2007, Bob wrote: >If isosurface ignore(xxxxx) .... >does not do the job for cavities, then that is a bug.
Oops :-) Selecting and hiding unwanted atoms and then using: isosurface ignore(hidden) minset 1000 INTERIOR cavity 1.0 sasurface 0.2; works fine eg http://icsd.ill.fr/icsd/cifdraw.php?&id[]=70186 I should have remembered that since I have already used "isosurface ignore(xxx)" 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/ _____________________________________________________________ ------------------------------------------------------------------------- This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limits. Just data. Click to get it now. http://sourceforge.net/powerbar/db2/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
