Quoting [email protected]: > On [2011-Jul-14] Robert Hanson <[email protected]> wrote: >> OK, I got it. In generating models, Jmol was not establishing this > connection: >> >> C4 C6 2_855 1.393(3) >> > > [snip] > >> I'll take a look at this and get back to you. I'm a bit surprised that > Jmol can't handle it directly, but here's how you do it: >> >> load c:/temp/t.cif {444 666 1} >> x = {*}.find("smarts","[r6]") >> display within(molecule, x) and within(molecule, cell=555) >> >> >> That says, "Show me all the molecules that cross into cell 555 and > contain six-membered rings. > > So what is the generic command that'll load a molecule and display all of > those (complete) molecules that have an atom within a unit cell? > > Rich > > load "" {444 666 1}; display within(molecule, cell=555) might be worth a try? > > > ------------------------------------------------------------------------------ > AppSumo Presents a FREE Video for the SourceForge Community by Eric > Ries, the creator of the Lean Startup Methodology on "Lean Startup > Secrets Revealed." This video shows you how to validate your ideas, > optimize your ideas and identify your business strategy. > http://p.sf.net/sfu/appsumosfdev2dev > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users >
------------------------------------------------------------------------------ AppSumo Presents a FREE Video for the SourceForge Community by Eric Ries, the creator of the Lean Startup Methodology on "Lean Startup Secrets Revealed." This video shows you how to validate your ideas, optimize your ideas and identify your business strategy. http://p.sf.net/sfu/appsumosfdev2dev _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
