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Item _conformer_stat_list.conformer_selection_criteria


Description


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

Category

conformer_stat_list

Item Examples


Example 1:

lowest energy

Mandatory Code

yes

Data Type Code

line

Enumeration Values

Item Value Description
lowest energy n.a.
least restraint violations n.a.
acceptable covalent geometry n.a.
favorable non-bond energy n.a.
target function n.a.
back calculated NOESY data agrees with experimental data n.a.
all calculated structures submitted n.a.

 

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