Re: CCL:SUMARRY --- 3D->2D softwares?
- From: "JunJun Liu" <ljjlp03 !! gmail.com>
- Subject: Re: CCL:SUMARRY --- 3D->2D softwares?
- Date: Sat, 02 Jul 2005 09:53:59 +0800
Deal All:
After receiving Ogham academic licenses now, I can evaluate all the
recommended programs. Thanks all that gave me advices! I have a lot of
molecules to be converted to 2D images, so a command line program is
more
of interest. Among the below recommended softwares, I like MolConverter
and Ogham most, although these two programs still have some shortcomes.
Molconverter:
1. works well only when remove all hydrogens.
2. it has some problem in recognizing some aromatic rings.
Ogham:
1. works a slightly better and smarter, but the program could be used
for
only two months with an academic license.
2. the produced images will be stamped with an OpenEye logo.
----- Recommended Softwares -------
MolConverter (in the package of Marvin)
http://www.chemaxon.hu/marvin/
JChemPaint
http://jchempaint.sf.net/
Ogham
one product of OpenEye Scientific Softwares.
http://www.eyesopen.com/products/toolkits/ogham.html
xdrawchem
http://xdrawchem.sourceforge.net/
CACTVS
http://www.xemistry.com
------------------------------
Best Regards!
Liu
On Mon, 27 Jun 2005 15:56:15 +0800, JunJun Liu <ljjlp03 !! gmail.com>
wrote:
Dear All:
Is there a software in linux can convert 3D small organic structures
to
2D
sketch structures? It will be more preferable if the software has a
function of exporting 2D structures to picutures. Thanks in advance!
Liu
--
JunJun Liu
College of Chemistry
Central China Normal University
WuHan 430079
P.R. China