[phenixbb] Weird Hydorgen refinement
pafonine at lbl.gov
Mon Aug 22 17:55:20 PDT 2011
there must be an error somewhere: in the program or in your parameter
files. Did you run phenix.refine from GUI or command line? Can you send
me the *eff and *log files?
If you used GUI what exactly you clicked?
What is the version of PHENIX?
What's in input PDB: does it contain any ANISOU records?
On 8/22/11 5:44 PM, Yuri wrote:
> Hello everyone.
> I was trying to refine my model anisotropically. I selected element NA
> or (chain A and not element H).
> I looked at the output pdb shows that hydrogens were being refined
> anisou as well as the protein.
> I believe its because technically they are also in chain A, but
> shouldnt the default be never refine H's anisotropically, especially
> at 1.5A ?.
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