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Dear ,
A PDB file is a coordinate file. The quantities you mention, Rsym,
I/sigI, and Redundancy are quantities calculated from the measured data
and can therefore not be determined from a PDB file.
The PDB file also contains the B-factor, so in order to find out the
B-factors of some coordinates in the PDB file, you can open the file
with any text editor of your choice and look at its entries.
Best wishes,
Tim
On 10/12/2011 01:53 PM, 王瑞 wrote:
> Dear Everybody,
>
> I am sorry for a little off-topic. Could anyone tell me how to determine
> a protein, peptide and ligand of a new pdb's b factor? I know there are
> rampage and sfcheck to validate in ccp4, but I only found a overall b factor
> in their result. By the way, are there a software to determine a new pdb's
> all parameters such as Rsym, I/σ, Redundancy, Solvent molecules' b factors?
>
> Thanks
>
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
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