OH, YEAH! If you have any interest in lone pairs or pi oribtals or hybridization, do take a look at http://www.stolaf.edu/people/hansonr/jmol/test/proto/lcao.htm
I suspect I missed a trick or two there, but it's a start anyway. Documentation is at http://www.stolaf.edu/people/hansonr/jmol/docs/?ver=11.0#lcaoCartoon Examples: select (carbon) lcaoCartoon "pz" Simple as that. Only the hybridization-compatible atoms are used, so in this case any sp3-hybridized carbon is left without a p orbital. Or, if you want to be more explicit: select (carbon and connected(3)) lcaoCartoon "pz" more examples from http://www.stolaf.edu/people/hansonr/jmol/test/proto/lcao.htm load caffeine.xyz;moveto 1.0 930 274 -244 107.0; select (carbon and connected(nitrogen));lcaocartoon create "pz" select (carbon and connected(nitrogen));lcaocartoon scale 1.5 create "pz" select (carbon and connected(nitrogen));lcaocartoon scale 1.0 create "pz" select (carbon and connected(nitrogen));lcaocartoon color green create "pz" select (carbon and connected(nitrogen));lcaocartoon color red blue create "pz" select (carbon and connected(nitrogen));lcaocartoon color yellow purple create "pz" select (nitrogen);lcaoCartoons delete create "-pz" select (atomno=10);lcaoCartoon delete create "sp3a" select (atomno=10);lcaoCartoon delete create "sp3b" select (atomno=10);lcaoCartoon delete create "sp3c" select (atomno=10);lcaoCartoon delete create "sp3d" select (atomno=10);lcaoCartoon color red create "sp3a" color green create "sp3b" color white create "sp3c" color blue create "sp3d" load C6H6.smol;frame 3;moveto 1.0 -992 -120 38 55.3; select (carbon and */3);lcaocartoon "pz" vibration on # It's not that fancy. Don't do this! vibration off Feedback appreciated. I swear, I'm done...... :) Bob Bob Hanson wrote: >select (atomset) > >lcaoOrbital "pz" > >I guess that's a no-brainer, right? Stand by.... > >Bob > > >------------------------------------------------------------------------- >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
