Hi, I don't think jchempaint can generate 3D coordinates, perhaps the easiest way to convert them is to use CORINA (http://www2.ccc.uni-erlangen.de/software/corina/ free_struct.html) which gives free access for 1000 structures. It just requires a SMILES string as input.
You might also be interested in iBabel for viewing structures (http://www.macinchem.fsnet.co.uk/applescripts.htm) Chris > Message Received: Nov 19 2005, 07:30 AM > From: "Aaron Glimme" <[EMAIL PROTECTED]> > To: [EMAIL PROTECTED], [email protected] > Cc: > Subject: [Jchempaint-user] (no subject) > > I've been using jchempaint for a while to draw structures for my > chemistry tests, now I need to turn some of them in to 3d models and > I'm having some trouble. I've tried saving the file as a MDL MOL file > and CML files and then opening it in Jmol. There are two issues with > this that I haven't been able to figure out. > > The first is the bond length seems really large in Jmol I'm having > trouble getting the files to look like a ball and stick model. The > second is the geometry isn't working, the models come out in a 2d > plane, is there some trick or script I need to run to get the > geometry right. I haven't been able to figure it out yet, any help > would be much appreciated. > > I'm using the latest versions of all the apps in Mac OS X 1.4.3. > > > Aaron Glimme > Berkeley High School > > > ------------------------------------------------------- > This SF.Net email is sponsored by the JBoss Inc. Get Certified Today > Register for a JBoss Training Course. Free Certification Exam > for All Training Attendees Through End of 2005. For more info visit: > http://ads.osdn.com/?ad_id=7628&alloc_id=16845&op=click > _______________________________________________ > Jchempaint-user mailing list > [EMAIL PROTECTED] > https://lists.sourceforge.net/lists/listinfo/jchempaint-user > > ------------------------------------------------------- This SF.Net email is sponsored by the JBoss Inc. Get Certified Today Register for a JBoss Training Course. Free Certification Exam for All Training Attendees Through End of 2005. For more info visit: http://ads.osdn.com/?ad_id=7628&alloc_id=16845&op=click _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
