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Category refine_ls_restr
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Category Description
Data items in the REFINE_LS_RESTR category record details about
the restraints applied to various classes of parameters during
least-squares refinement.
Category Examples
Example 1:
Example 1 - based on PDB entry 5HVP and laboratory records for the
structure corresponding to PDB entry 5HVP
loop_
_refine_ls_restr.type
_refine_ls_restr.dev_ideal_target
_refine_ls_restr.dev_ideal
_refine_ls_restr.number
_refine_ls_restr.criterion
_refine_ls_restr.rejects
'bond_d' 0.020 0.018 1654 '> 2\s' 22
'angle_d' 0.030 0.038 2246 '> 2\s' 139
'planar_d' 0.040 0.043 498 '> 2\s' 21
'planar' 0.020 0.015 270 '> 2\s' 1
'chiral' 0.150 0.177 278 '> 2\s' 2
'singtor_nbd' 0.500 0.216 582 '> 2\s' 0
'multtor_nbd' 0.500 0.207 419 '> 2\s' 0
'xyhbond_nbd' 0.500 0.245 149 '> 2\s' 0
'planar_tor' 3.0 2.6 203 '> 2\s' 9
'staggered_tor' 15.0 17.4 298 '> 2\s' 31
'orthonormal_tor' 20.0 18.1 12 '> 2\s' 1
Key Category Items
Items in Category refine_ls_restr
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Resource Collaboratory for Structural Bioinformatics
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