Data Item _conformer_stat_list.conformer_selection_criteria

General

Item name
_conformer_stat_list.conformer_selection_criteria
Category name
conformer_stat_list
Attribute name
conformer_selection_criteria
Required in PDB entries
yes
Used in currrent PDB entries
No

Item Description

Give the criteria used to select the conformers that have been deposited from the total number of calculated conformers.

Item Example

 
lowest energy

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|^-]*
Values limited by enumeration list
no

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