[Ifeffit] P 1 space group

[Scott Calvin]

Hi Bruce,

I can recall two cases where I've done this:

I used Hyperchem to model some small molecules (butyl bromides for a
gas-phase study).

I constructed the coordinates for an icosahedral nanocluster by hand.

--Scott Calvin
Sarah Lawrence College

At 06:57 PM 10/3/2005 -0500, you wrote:
>

>So, I would like to hear from your folks about where you get your
>non-crystallographic structural information.  The more input I get, the more
>likely that a truly useful tool can be incorporated into Artemis.
>