Dear Tiantian, all the questions that you asked in this email are addressed in great details here: 1) http://www.phenix-online.org/newsletter/ see articles: "On atomic displacement parameters ..." and "TLS for dummies" 2) http://www.phenix-online.org/presentations/latest/pavel_refinement_general.p... pages 23-30 3) http://www.phenix-online.org/presentations/latest/pavel_phenix_refine.pdf pages 23. Please let me know if it is still not clear and I will be happy to explain some more. Briefly, yes, what you get is expected and there is nothing to worry about. TLS refinement = constrained anisotropic ADP refinement. Pavel. On 6/16/11 7:11 PM, ChenTiantian wrote:
Dear Phenixers, I refined my structure with TLS, I did not mean to refine it with anisotropic strategy, but I got ANISOU record. As the manual metioned, when doing TLS refinement, It always happens like this. What does this ANISOU record mean ? Does that mean TLS is a grouped anisotropic refinement?
Tiantian -- Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences Address: Room 101, 646 Songtao Road, Zhangjiang Hi-Tech Park, Pudong New Area, Shanghai, 201203, P.R. China
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