Subject: Re: CCL:Pronunciation of "Conformer"

From: [email-masked] (Peter Shenkin)
Date: Fri, 15 Mar 96 21:11:53 -0500

> From [email-masked]  Fri Mar 15 21:06:09 1996
> I apologize for wasting valuable bandwidth, but is the preferred
> pronunciation of "conformer"  either "con' form er"
> or "con form' er"?

If you say "con' form er" you'll be a "con form' er" to common usage.

-P.

**************** In Memorium, Minnie Pearl, 1913-1996, RIP *****************
*** Peter S. Shenkin, Box 768 Havemeyer Hall, Chemistry, Columbia Univ., ***
*** NY, NY  10027;  [email-masked];  (212)854-5143;  FAX: 678-9039 ***
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>From [email-masked] Wed Mar 13 15:00 EST 1996
Date: Wed, 13 Mar 96 15:15:32 -0500
From: [email-masked] (Joel Polowin)
To: Hiroshi Ogura <[email-masked]>,
        CompChem List
    <[email-masked]>
Subject: Re:  CCL:Making a crystal packing model in a computer
Content-Length: 1192
Status: RO

> Date: Sun, 10 Mar 1996 18:33:08 -0700 (MST)
> From: Hiroshi Ogura <[email-masked]>
> 
> (1)  Calculating and inputting all the atomic coordinates is a tedious 
> task.  I would much rather input the coordinates of a _unit cell_ and 
> lattice dimension into a program or a macro, and have it generate all the 
> coordinates.  Is there such a program?  Does a commercial software such 
> as Spartan or Macromodel have a macro that I could use?

The Crystal Builder module of the ChemPlus enhancements package for
HyperChem can HyperChem can replicate a unit cell to give a 3D lattice.
This operation, at least, is quite simple computationally; if you have
the cell parameters of dimensions and angles, then you'd just need a
little program that can calculate the required translation for each unit
cell and replicate the atoms in it.

Joel

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