Subject: Re: CCL:Sftware for Review

From: shawn feaster <[email-masked]>
Date: Wed, 12 Apr 1995 10:38:12 -0500 (CDT)

Hi Steve,

I would enjoy reviewing the software listed below.  I am currently a fifth
year graduate student in organic chemistry at the University of Iowa.  My
specialy is in the realm of biophysical/physical organic chemistry, and my
group focuses on transition state analog inhibition of proteins.  My work
to this point has mainly focused on QSAR studies, molecular modeling
protein-lingand interactions using Sybyl, Charmm, and Insight, and protein
mechanism elucidation and evaluation.  Also, I am the University of Iowa's
"in house" molecular modeling consultant.

  I am familiar with the older version of ChemWindows and would like to
evaluate the new version in order to determine if they have removed its
limitations as well as to determine if the output is suitable for CAS
structure searches. 

> 1. ChemWindow, Version 3.1 from SoftShell.  This is a structure
> drawing program which runs under Windows.
> 

I am not familiar with the Lab Glassware collection, but I assume that it
deals with drawing glassware setup.  If this is true, I would be
very interested in evaluating how well it works since I am in the habit of
keeping my research notebook electronically.  My greatest limitation so
far in keeping the notebook electronically has been in the quaility of the
diagrams that I have been able to incorperate.  I have tried Harvard
graphics, Correl draw, and Aldus freehand, but they are very time
consuming to draw glassware setup, and I am not the world's greatest
freehand artist.

> 2. Lab Glassware collection, Version 1.0 from SoftShell.  This
> requires ChemWindow 3.1 or later.
> 

Finally, as I mensioned earlier, my research group focuses on QSAR and
mechanism elucidation and evaluation.  Specifically, we have recently been
calculating logP values by hand as well as by using the QSAR utility
within Sybyl. It would be interesting to determine how all of the methods
compare with each other.  I currently have Excel 4.0.  In my opinion, if
the software can run in Excel then it is much more useful to the average
user strickly based on cost.

> 3. SciLogP from SciVision.  One needs either HyperChem 3.0 or 4.0
> and Excel 4.0 or 5.0 to run this program. The program calculates
> logP values.  The reviewer will have to contact SciVision to get
> the unlocking code for the program.

If I can be of help, please contact me at the followin address.

		Shawn Feaster
		University of Iowa
		Department of Chemistry
		Iowa City, Iowa  52242
		phone:  (319)335-1335 or (319)335-7900
		e-mail:  [email-masked]

I think that I will be able to use the software quite a bit in the next
few months since I plan to begin writing my thesis soon.

Thanks,
Shawn Feaster