[phenixbb] geometry in phenix.refine
jzhu at cbr.med.harvard.edu
Thu Feb 21 14:49:00 PST 2008
Is it possible that phenix.pdbtools ignored the H atoms when
calculating the geometry statistics?
On Feb 21, 2008, at 5:16 PM, Pavel Afonine wrote:
> Hi Jianghai,
> no reasons for that: they are supposed to be identical and I just
> checked it myself (we use exact same code to report statistics in both
> phenix.pdbtools and in phenix.refine). If it's not the case, please
> us the pdb file so we can have a closer look.
>> I also noticed that the geometry output by phenix.refine and
>> phenix.pdbtools are different. What is the reason for that?
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