Hello Again Angel- My email reply to your query bounced because of the png file size. Since you may have access to the bounced message, I will not cancel it. If you do not, I'd be happy to send the png directly to your personal email. The text of the bounced message is below. You can also recreate the "wedge effect" from the page that I reference. The image that I sent was JME to Jmol cyclohexane. As you may already know, the JME hydrogens must be explicitly inserted. Of course, for the case at hand they are inserted as solid and hashed wedges.
Sorry about the Jmol file size violation. Otis On Tue, Dec 8, 2009 at 12:43 PM, Otis Rothenberger <[email protected]> wrote: > Hello Angel- > > The page in question is: > > http://chemagic.com/web_molecules/script_page_large.aspx > > The draw structure link on the page is the operative link. I've > attached a png file of the screen at the point where JME transferred > the 2D structure with wedges and Jmol UFF got the resulting chair > correct, albeit with wedge bonds. > > The page also has a link for users to load an optimized structure from > ChemSketch, using ChemSketch's CHARMM routine. Interestingly, if I > force ChemSketch to leave my wedge bonds in the ChemSketch 2d > optimized structure, the wedges do not show in Jmol. Of more interest, > ChemSketch gives me a boat! I should reiterate that we have > ChemSketch to Jmol instructions on the page that require the use of > the 2d ChemSketch app - not the 3d viewer. It is only the 2d app that > places molfile info on the clipboard with a structure copy. > Fortunately, ChemSketch 3d optimizes in the 2d app. > > The wedge bonds are not a huge issue, but it would be nice to make > them behave on wireframe and spacefill commands. > > Otis > > > -- > Otis Rothenberger > http://chemagic.org > -- Otis Rothenberger http://chemagic.org ------------------------------------------------------------------------------ Return on Information: Google Enterprise Search pays you back Get the facts. http://p.sf.net/sfu/google-dev2dev _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
