Aaron wrote: > 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.
I may be mistaken, but I believe that jchempaint is saving the atom positions in the incorrect units. I believe that jchempaint stores the atom coordinates in pixels. Jmol (and, I believe, the .mol format) expect the coordinates in angstroms. > The second is the geometry isn't working, the models > come out in a 2d plane, jchempaint is a 2d drawing package. > 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. Calculating 3D molecular structure from a 2D representation is a non-trivial problem. Miguel ------------------------------------------------------- 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_idv28&alloc_id845&op=click _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
