phases from CNS

Lothar Esser esser at CHOP.SWMED.EDU
Wed Nov 10 14:51:34 EST 1999


On 10 Nov 1999 Peter.Burkhard at unibas.ch wrote:

> 
> Dear all,
> 
> We wanted to calculate phases and FOMs from a partial structure using the
> script "model-phase.inp" in cns0.9. All we get is a hkl-file which
> contains all columns but all values in those columns are 0.000.
> 
> Any ideas are appreciated,
> 
> Pete

  It is very hard to say what might be wrong with so little information. 
I have used CNS 0.9a to calculate structure factors and it worked fine.
Given that all columns are 0 suggests that your occupancy might be zero or
that CNS could not find any of your atoms in the structure file so you end
up with zero atoms in the s.f. calculation ...
 
  Hope this helps,

   Lothar 


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Dr. Lothar Esser 
UT Southwestern Medical Center Dallas
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