Data Item _pdbx_nmr_ensemble.conformer_selection_criteria

General

Item name
_pdbx_nmr_ensemble.conformer_selection_criteria
Category name
pdbx_nmr_ensemble
Attribute name
conformer_selection_criteria
Required in PDB entries
no
Required for PDB deposition
yes
Used in current PDB entries
Yes, in about 6.9 % of entries

Item Description

By highlighting the appropriate choice(s), describe how the submitted conformer (models) were selected.

Additional Descriptive Information for Depositors

 
By highlighting the appropriate choice(s), describe how the submitted
conformer (models) were selected.
 structures with the lowest energy
 structures with the least restraint violations
 structures with acceptable covalent geometry
 structures with favorable non-bond energy
 target function
 back calculated data agree with experimental NOESY spectrum
 all calculated structures submitted
    The submitted conformer models are the 25 structures with the lowest
    energy.
    The submitted conformer models are those with the fewest number of
    constraint violations.

Data Type

Data type code
text
Data type detail
text item types / multi-line text ...
Primitive data type code
char
Regular expression
[][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*
Values limited by enumeration list
no

Controlled Vocabulary at Deposition

Allowed Value Details
all calculated structures submitted
back calculated data agree with experimental NOESY spectrum
structures with acceptable covalent geometry
structures with favorable non-bond energy
structures with the least restraint violations
structures with the lowest energy
target function

Aliases

Alias Item Name Dictionary Name Dictionary Version
_rcsb_nmr_ensemble.conformer_selection_criteria cif_rcsb.dic 1.1