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Tag category Conformer_stat_list

Key tags (columns):

Tags in table Conformer_stat_list:

TagDescriptiondata typeMandatory
Both_ensemble_and_rep_conformerSelect this box if your atomic coordinate file contains data for an ensemble of conformers and a representative conformer derived using a method different from that used for the other conformers in the file. An example would be a file that contains an enyes_noyes
Conf_family_coord_set_IDPointer to '_Conformer_family_coord_set.ID'intyes
Conf_family_coord_set_labelPointer to a save frame of the category conformer_family_coord_set.framecodeyes
Conformer_calculated_total_numEnter the total number of conformers that were calculated.intyes
Conformer_ensemble_onlyCheck this box if your atomic coordinate file contains data for an ensemble of structures where one structure from the ensemble will be designated as a representative structure. All of the members of the ensemble have been calculated using the same methoyes_noyes
Conformer_selection_criteriaGive the criteria used to select the conformers that have been deposited from the total number of calculated conformers.lineyes
Conformer_submitted_total_numProvide the number of conformers deposited.intyes
Data_file_nameThe name of the file submitted with this depostion that contains the quantitative data for this save frame.line 
DetailsText providing additional information regarding the conformer statistics.text 
Entry_IDPointer to '_Entry.ID'codeyes
IDAn integer value that uniquely identifies this save frame of conformer statistics from other save frames of this category in an entry.intyes
NameA name assigned to the save frame.line 
Original_conformer_stats_file_IDLocal unique identifier assigned to the conformer statistics file submitted by a depositor.int 
Rep_conformer_selection_criteriaEnter the criteria used to select the conformer defined as representative of the conformer family.text 
Representative_conformerFrom the deposited family of conformers enter the number or position of the conformer in the family that is representative for the family.intyes
Representative_conformer_IDPointer to '_Representative_conformer.ID'int 
Representative_conformer_labelPointer to save frame of category 'representative_conformer'framecode 
Representative_conformer_onlyCheck this box if your atomic coordinate file contains the data for a single structure.yes_noyes
Sf_categoryCategory definition for the information content of the save framecodeyes
Sf_framecodeA label for the save frame that describes in very brief terms the information contained in the save frame.framecodeyes
Sf_IDAn interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system.intyes
Statistical_struct_param_detailsText providing additional information regarding the reported statistical parameters for the conformer family and representative conformer.text 
Text_dataA set of conformer statistics data formatted as ASCII text.text 
Text_data_formatThe data format used to represent the conformer statistical data as ASCII text in the text block that is the value to the '_Conformer_stat_list.Text_data' tag.line