> I met another issue. How to add lone pairs of electrons to Jmol. Scott,
Unfortunately, I have *no* idea what a "lone pair" is ... I am a computer guy, not a chemist :) Perhaps someone else can help out on this issue. > > My first thought is that I can add another new atom to the .cml file to > simulate the lone pairs. The issue is that I need to change the new atom > to ballon shaped, semi transparent grey, with a fuzzy edge. Is this > feasible? My guess it should be a possible to change the shape of "LP" > atom, could you please enlighten me? > > > The methanol1.cml > ------------------------------------------------------------------------ > ------------------------------------------------------------------------ > -------- > <?xml version="1.0" encoding="ISO-8859-1"?> > <!DOCTYPE molecule SYSTEM "cml.dtd" []> > <molecule id="METHANOL"> > <atomArray> > <stringArray builtin="id">a1 a2 a3 a4 a5 a6 a7</stringArray> > <stringArray builtin="elementType">C O H H H H LP</stringArray> > <floatArray builtin="x3" units="pm">-0.748 0.558 -1.293 -1.263 > -0.699 0.716 0.99</floatArray> > <floatArray builtin="y3" units="pm">-0.015 0.420 0.202 0.754 -0.934 > 1.404 0.99</floatArray> > <floatArray builtin="z3" units="pm">0.024 -0.278 -0.901 0.600 0.609 > 0.137 0.99</floatArray> > </atomArray> > </molecule> > ------------------------------------------------------------------------ > ------------------------------------------------------------------------ > ----------- > > You can see the applets from here > http://128.233.95.77:2003/webdav/jmol.htm > <http://128.233.95.77:2003/webdav/jmol.htm> > > > Thanks > > > Scott Zhao > Programmer Analyst > Educational & Research Technology Services > Information Technology Services Division > University of Saskatchewan > Telephone: (306) 966-2395 > Fax: (306) 966-4938 > > ------------------------------------------------------- This SF.NET email is sponsored by: eBay Great deals on office technology -- on eBay now! Click here: http://adfarm.mediaplex.com/ad/ck/711-11697-6916-5 _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
