Well, let's see. I can display the molecules one at a time using:
display molecule=1 display molecule=2 etc. So that takes care of the no-symmetry issue. But you want to take this file and apply symmetry operators and multiple unit cells, is that right? OK, the problem comes down to the fact that in general when you apply symmetry operators it is quite common to have redundant operators. BUT, am I correct that this kind of data is "prepacked" - that is, only the translational operators are necessary? All the rotations and reflections and such are already represented? No duplicate atom positions if we just added translations? Bob ------------------------------------------------------------------------- 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 Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
