From owner-chemistry@ccl.net Tue Aug  1 20:18:48 1995
Received: from indigo1.kist.re.kr  for moon@indigo1.kist.re.kr
	by www.ccl.net (8.6.10/930601.1506) id UAA12591; Tue, 1 Aug 1995 20:18:41 -0400
Received: by indigo1.kist.re.kr (931110.SGI/930416.SGI.AUTO)
	for chemistry@ccl.net id AA25625; Mon, 29 May 95 09:26:50 -0700
Date: Mon, 29 May 95 09:26:50 -0700
From: moon@indigo1.kist.re.kr (Tae-Sung Moon)
Message-Id: <9505291626.AA25625@indigo1.kist.re.kr>
To: chemistry@ccl.net
Subject: sugar puckering



Dear Netters,

 I'm interested in sugar puckering of DNA but I have no tool.
Let me know the source or the sites for sugar puckering analysis.
Thanks.


T.S. Moon
E-mail:moon@kistmail.kist.re.kr



From owner-chemistry@ccl.net Thu Aug  3 17:32:50 1995
Received: from SLVAXA.umsl.edu  for C1790@SLVAXA.UMSL.EDU
	by www.ccl.net (8.6.10/930601.1506) id RAA23398; Thu, 3 Aug 1995 17:32:47 -0400
Received: from SLVAXA.UMSL.EDU by SLVAXA.UMSL.EDU (PMDF V4.3-7 #2503)
 id <01HTN5UE6ECG9OCUY2@SLVAXA.UMSL.EDU>; Thu, 3 Aug 1995 16:34:34 CDT
Date: Thu, 03 Aug 1995 16:34:34 -0500 (CDT)
From: BILL WELSH <C1790@SLVAXA.UMSL.EDU>
Subject: Question about Electrostatics in Molecular Mechanics
To: chemistry@ccl.net
Message-id: <01HTN5UE7QKI9OCUY2@SLVAXA.UMSL.EDU>



Dear Netters,

Please help settle a small controversy.  For a particular molecular 
mechanics calculation, I derived partial atomic charges from bond 
dipole moment measurements made in nonpolar solvent.  I then ran 
molecular mechanics calculations using an in vacuo dielectric constant 
of 1.00.  A colleague argues that I must use a dielectric constant 
appropriate to the nonpolar solvent from which the charges were 
derived (e.g., 2-3).  It seems to me that the charges already embody 
the effect of the nonpolar solvent's dielectric constant, and so using 
the in vacuo value of 1.00 is okay and perhaps preferred.  Stated another 
way, it seems to me that using these charges AND the dielectric of 2-3 
would count the effect of the nonpolar solvent twice.

Any opinions on this matter are appreciated.

Thanks ...

Bill Welsh
Dept. of Chemistry
Univ. of Missouri-St. Louis
 



From owner-chemistry@ccl.net Mon Aug  7 18:00:49 1995
Received: from SLVAXA.umsl.edu  for C1790@SLVAXA.UMSL.EDU
	by www.ccl.net (8.6.10/930601.1506) id SAA05572; Mon, 7 Aug 1995 18:00:46 -0400
Received: from SLVAXA.UMSL.EDU by SLVAXA.UMSL.EDU (PMDF V4.3-7 #2503)
 id <01HTSS0NWDFS9OCV28@SLVAXA.UMSL.EDU>; Mon, 7 Aug 1995 17:02:43 CDT
Date: Mon, 07 Aug 1995 17:02:43 -0500 (CDT)
From: BILL WELSH <C1790@SLVAXA.UMSL.EDU>
Subject: effects of side-chain bulk on polymer spatial configurations
To: chemistry@ccl.net
Message-id: <01HTSS0NWN2Y9OCV28@SLVAXA.UMSL.EDU>
X-VMS-To: in%"chemistry@ccl.net"
MIME-version: 1.0
Content-type: TEXT/PLAIN; CHARSET=US-ASCII
Content-transfer-encoding: 7BIT
Status: RO


Dear Netters,

I am looking for published examples of cases in which the strong steric 
interactions between the side-chain and main-chain produces a large 
influence on the spatial configuration of polymer molecules.  I 
understand that examples are found among the polyolefins, poly(vinyl ethers), 
poly(alkylene oxides), poly(methyl acrylates), poly(chloral), and 
polysaccharides, but I am looking for cited references in the literature. 
I appreciate any suggestions.

Bill Welsh
Dept of Chem.
Univ. of Missouri-St. Louis