21 Feb
2008
21 Feb
'08
7:49 p.m.
Is it possible that phenix.pdbtools ignored the H atoms when calculating the geometry statistics? Jianghai 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 sent us the pdb file so we can have a closer look.
Pavel.
I also noticed that the geometry output by phenix.refine and phenix.pdbtools are different. What is the reason for that?
Jianghai
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