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Category refine_ls_restr_ncs
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Category Description
Data items in the REFINE_LS_RESTR_NCS category record details
about the restraints applied to atomic positions in domains
related by non-crystallographic symmetry during least-squares
refinement, and also about the deviation of the restrained
atomic parameters at the conclusion of refinement. It is
expected that these values will only be reported once for each
set of restrained domains.
Category Examples
Example 1:
Example 1 - based on laboratory records for the collagen-like
peptide, HYP-.
_refine_ls_restr_ncs.dom_id d2
_refine_ls_restr_ncs.weight_position 300.0
_refine_ls_restr_ncs.weight_B_iso 2.0
_refine_ls_restr_ncs.rms_dev_position 0.09
_refine_ls_restr_ncs.rms_dev_B_iso 0.16
_refine_ls_restr_ncs.ncs_model_details
;
NCS restraint for pseudo-twofold symmetry between domains
d1 and d2. Position weight coefficient given in Kcal/(mol \%A^2^)
and isotropic B weight coefficient given in \%A^2^.
;
Key Category Items
Items in Category refine_ls_restr_ncs
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Resource Collaboratory for Structural Bioinformatics
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