Data Item _refine_ls_restr.type

General

Item name
_refine_ls_restr.type
Category name
refine_ls_restr
Attribute name
type
Required in PDB entries
yes
Required for PDB deposition
no
Used in current PDB entries
Yes, in about 84.7 % of entries

Item Description

The type of the parameter being restrained. Explicit sets of data values are provided for the programs PROTIN/PROLSQ (beginning with p_) and RESTRAIN (beginning with RESTRAIN_). As computer programs change, these data values are given as examples, not as an enumeration list. Computer programs that convert a data block to a refinement table will expect the exact form of the data values given here to be used.

Item Examples

35

 p_bond_d
 p_angle_d
 p_planar_d
 p_xhbond_d
 p_xhangle_d
 p_hydrog_d
 p_special_d
 p_planar
 p_chiral
 p_singtor_nbd
 p_multtor_nbd
 p_xyhbond_nbd
 p_xhyhbond_nbd
 p_special_tor
 p_planar_tor
 p_staggered_tor
 p_orthonormal_tor
 p_mcbond_it
 p_mcangle_it
 p_scbond_it
 p_scangle_it
 p_xhbond_it
 p_xhangle_it
 p_special_it
 RESTRAIN_Distances < 2.12
 RESTRAIN_Distances 2.12 < D < 2.625
 RESTRAIN_Distances > 2.625
 RESTRAIN_Peptide Planes
 RESTRAIN_Ring and other planes
 RESTRAIN_rms diffs for Uiso atoms at dist 1.2-1.4
 RESTRAIN_rms diffs for Uiso atoms at dist 1.4-1.6
 RESTRAIN_rms diffs for Uiso atoms at dist 1.8-2.0
 RESTRAIN_rms diffs for Uiso atoms at dist 2.0-2.2
 RESTRAIN_rms diffs for Uiso atoms at dist 2.2-2.4
 RESTRAIN_rms diffs for Uiso atoms at dist >2.4

Data Type

Data type code
line
Data type detail
char item types / multi-word items ...
Primitive data type code
char
Regular expression
[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*

Child Data Items