[EMAIL PROTECTED] wrote: > >comes up: is Jmol the best tool to do this? The CCDC program Mercury is a >bit easier since you can show a complete unit cell and then select based >on the atoms generated by a particular symmetry operator. But even this >isn't as easy as it should be. > > >
select symop=n The question is not that, I think -- it's picking the atoms that are in equivalent translational positions regardless of the symmetry operator, since there are different ways to the same atom positions (I think because of special positions), it's not clear that there is an unambiguous way to do this. >Rich > >------------------------------------------------------------------------- >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
