Data Item _rcsb_nmr_ensemble.conformer_selection_criteria

General

Item name
_rcsb_nmr_ensemble.conformer_selection_criteria
Category name
rcsb_nmr_ensemble
Attribute name
conformer_selection_criteria
Required in PDB entries
no
Used in currrent PDB entries
No

Item Description

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

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|^-]*

Controlled Vocabulary

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

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