Ah, I see. If they do not cross cell boundaries, you could select cell=566 and ....
for example. Or, if not, and they are all connected as a single organic molecule, you could: select within(molecule,cell=566 and symop = 1) "site" is crystallographic site, so that might also be useful. I don't think there is a general solution. Is this a specific problem or a general one? Patrick J. Carroll wrote: >Bob, > The difficulty I have in selecting molecules in the unit cell is >that I would like to be able to, e.g., select the molecule produced by the >symmetry operation X, 1/2-Y, 1/2+Z and THEN select the one produced by 1+X, >1/2-Y, 1/2+Z, which is the same symmetry operation, just translated +1 in >a. But when I select symop=2, all of the symop=2 molecules (1+X, 1/2-Y, >1/2+Z, X, 3/2-Y, 1/2+Z, X, 1/2-Y, 3/2+Z, etc) are selected. I, maybe, could >select by molecule no., if I knew the relationships between the molecule >nos. and the sym op's (and I am ignoring, for now, the problem of the Jmol >"molecule" not being the same as the "crystallographic molecule", usually >called, BTW, the "asymmetric unit"). > > >Pat Carroll >Chem Dept >U of Penn > > > > >------------------------------------------------------------------------- >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 > > ------------------------------------------------------------------------- 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
