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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 ?. -- Yuri Pompeu
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Hi Yuri, 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? Pavel. 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 ?.
participants (2)
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Pavel Afonine
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Yuri