Subject: Chemdraw or ChemWindow

From: Tony Williams <[email-masked]>
Date: Sun, 15 Aug 1999 13:02:07 -0700

One other option that was missed was the Chemsketch FREEWARE available from
www.acdlabs.com/download which includes a tautomer identifier, 3D
optimization engine, 3D viewer, programming language (ChemBasic), Spectral
viewer for experimental spectra and many additional options. There have
been over 24,000 downloads (http://www.acdlabs.com/chsk_ann.html) and site
licences are available ([email-masked]). There is also an online
discussion group for users to exchange questions and comments

ChemSketch 4.0 FREEWARE

For description see:
http://www.acdlabs.com/products/chem_dsn_lab/chemsketch/

For download see:
http://www.acdlabs.com/download

ChemSketch is designed to be used on its own for drawing chemical
structures, reactions, schematic diagrams or integrated with other ACD
applications and as the front end to our software. Able to import Windows
Metafile, MDL MOL, CS ChemDraw, or ISIS/Sketch BIN file. Export Bitmap,
TIFF, Metafile, MOL, Paintbrush, ISIS/Sketch, GIF , and ChemDraw. Fully
loaded with useful pre-drawn structures including lab equipment, DNA/RNA
building kit, amino acids etc. Structures can be 2D "cleaned" as well as 3D
optimized using ACD's powerful algorithm. Publish a professional quality
report from within ChemSketch or drag drop structures/text into MS
applications i.e. MS Word.

>From now until the end of October the FREE Ilab add-on allows generation of
IUPAC names, prediction of LogP, pKa, CNMR spectra, HNMR spectra and many
other properties.

http://www.acdlabs.com/download/ilab_addon.html

ChemSketch is seamlessly integrated with ACD/3D Viewer.

ACD/3D Viewer  http://www.acdlabs.com/products/chem_dsn_lab/chemsketch/3d/

For download see:
http://www.acdlabs.com/download

will display and print any 2D or optimized 3D chemical structure from the
ChemSketch tablet or imported 3D MOL file. View your 3D structure as a wire
frame, stick, ball and stick, disk, dot or spacefill model. The user is
also given the ability to calculate atomic distance, bond angle and torsion
angle.

Viewing Software

ACD SpecViewer allows the user to view and print processed NMR, IR, MS,
Raman, UV, or NIR spectra. When used in tandem with ACD/ChemSketch the user
has the ability to attach structure and text to a spectrum and produce
exampolary final reports. Free to download from:

http://www.acdlabs.com/download/specview.html

Message-Id: <[email-masked]>
Date: Sat, 14 Aug 1999 08:00:07 -0700
To: [email-masked]
From: "Stephen R. Marsden" <[email-masked]>
Subject: Re: Chemdraw vs. Chemwindow
Mime-Version: 1.0
Content-Type: text/plain; charset="us-ascii"

One option which was not mentioned is Molecules 3D from Molecular Arts
(free 'nagware' web version:: http://www.molecules.com/m3d25web.shtml). 

I am planning to use this with my students this year for the first time (it
is very inexpensive;I think we paid about $700 for a 30 station network
license). What I liked most about it compared to others I looked at
(besides the cost :-) was the Lewis Coach feature. Rather than requiring
students to learn a bunch of specific things for using the program it
guides them through the construction of a Lewis structure for their
molecule, including the assignment of formal charges. Once that is done the
model is complete and can be viewed in a variety of formats, rotated,
exported, etc. So there is a real connection with what students have
already learned about drawing 2D structures, electron "placement" and so on.

I'm still a novice using it but it seems like an appropriate approach for
introductory level students. A possible added advantage is that students
with computers at home could download the web version for free and be able
to do some work at home.

Steve Marsden
all replies to [email-masked]
Chemistry Home Page <http://home.earthlink.net/~smarsden/>
ICQ# 2974668