Phil wrote: > This is an interesting problem, and one for which I have been looking for a solution for some time on the Mac side. ChemDraw allows you to take the structure and display it in Chem3D and then export it as a pdb file (or a variety of other formats.) However, the only Mac version of Chem3D available is for OS 9 and it is not being further developed, while the drawing program continues to be developed. They clearly have the code which allows a structure to be converted to pdb from the 2-D drawing, albeit through the Chem3D format. I have tried to convince Cambridge to incorporate that code into a ChemDraw export option, to no avail.
Q: Is this Cambridge Software? Q: Are you saying that they do a 2D -> 3D conversion? If so, how good is it? Are the algorithms for this well defined? Miguel ------------------------------------------------------- This SF.Net email sponsored by Black Hat Briefings & Training. Attend Black Hat Briefings & Training, Las Vegas July 24-29 - digital self defense, top technical experts, no vendor pitches, unmatched networking opportunities. Visit www.blackhat.com _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
