[cctbxbb] fractional coordinate expansion ... share occupancy

[Ralf W. Grosse-Kunstleve]

Hi David,

> I have provided an example compound with scatterer code below as you
> will note the output has overlapping atoms and the resulting 58 points
> are not enough to cover the chemical formula. What do I need to do to
> fix this?

Sorry, I don't understand the question. Could you please explain
what you expect to see as the output?

Ralf





 
____________________________________________________________________________________
Get your own web address.  
Have a HUGE year through Yahoo! Small Business.
http://smallbusiness.yahoo.com/domains/?p=BESTDEAL