Re: [Jmol-users] MarvinSketch?

[Miguel <mi...@jm...>]

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