Hi there,
The way to fix or freeze an entire section of a protein molecule will
depend on the refinement program used.
For example, in CNS, I would go to the = atom selection = section in the input
file(s) and change the parameters
there. You can fix atoms, or apply harmonic restraints.
Hi,
I never carry out grouped B-factor refinement at that resolution... Also you
(probably) will want to do TLS
refinement. I think that is not possible in the current (v1.2) CNS. Implemented
in Refmac and Phenix, I don't know
if it will be implemented in the upcoming CNS v1.3.
Fred.
Dear all,
as a followup to recent discussions about attachments and their
underlying problems, I uploaded the figures from Bernhard Rupp's book
Biomolecular Crystallography to the CCP4 user wiki, with permission by
the author. The article is at
You can use harmonic restraint. There is no option on the interface.
However you can create and use keyword file on the interface.
In the keywords file you need to give instruction where you want to
put harmonic restraints. Syntax is:
for particular atom:
external harmonic chain [ch]
Hi
As far as I know Paul and Eugene are working very hard to make this
option painlessly available to users. With the current versions of
refmac and coot I would check carefully at every stage. In coot I
would look at the distance berween atoms supposed to be linked (even
if they are not
Hi,
I think I have new problems here with CNS. The structure contains a DNA with a
abasic dideoxyribose（1p,2p-dideoxyribofuranose-5p-phosphate，3DR）. But the
pdb genetated by generated_easy.inp lose the abasic site. I used the .param
and .top of 3DR on HIC-Up website. They work when the model is
