On Feb 7, 2010, at 11:13 PM, Wataru Kagawa wrote:
> Hi all,
>
> I would like to create a pdb file for a chemical compound (FW ~600) that was
> created in our chemistry department. ChemDraw 3D appears capable of doing
> this, but I would like to know if there are free alternatives that work grea
> You can build any 3D molecule easily in Discovery Studio Visualizer - It
is free but > not for Mac OS
I have been pretty impressed with Discovery Studio Visualizer and feel that
it can serve as a nice compliment to Pymol.
I wrote up a brief overview and comparison between the two programs her
There are several more options to create 3D coordinates from it's 2D
drawing:
You can build any 3D molecule easily in Discovery Studio Visualizer -
It is free but not for Mac OS
there is nice server called Frog, that convert 2D to 3D and can
build set of conformers http://bioserv.rpbs
This may be somewhat convoluted but for this exact purpose try ZINC.
For other drawing things then yes use one of the other packages
http://zinc.docking.org/
Draw the molecule using the widget, save the smiles file and let their
server make the 3D version for you, properly protonated etc. A
Alternatives to ChemDraw 3D? Yes, ChemDoodle!
I installed XDrawChem on Mac OSX 10.4.11 but it crashes all the time
which is somewhat annoying.
Then I finally stumbled upon ChemDoodle *which is not for free* but the
trial version solved my problem at that time.
Having worked with it, I really
Hi all,
I would like to create a pdb file for a chemical compound (FW ~600) that was
created in our chemistry department. ChemDraw 3D appears capable of doing this,
but I would like to know if there are free alternatives that work great on
Macs. Any info would be greatly appreciated.
Thanks.
