Supporting Data mmcif_pdbx_vrpt.dic

Dictionary Revision History

Version Revision Date Revision Description
0.064 2022-07-20 Changes (ep):
+ Addition of Q-score data
Add _pdbx_vrpt_summary_em.Q_score
Add pdbx_vrpt_summary_entity_fit_to_map category
Mark _pdbx_vrpt_summary_entity_geometry.average_residue_inclusion as deprecated
and replaced by _pdbx_vrpt_summary_entity_fit_to_map.average_residue_inclusion
Add pdbx_vrpt_model_instance_map_fitting category
Mark pdbx_vrpt_model_instance_density as deprecated and replaced
by pdbx_vrpt_model_instance_map_fitting
Mark _pdbx_vrpt_model_instance_geometry.residue_inclusion deprecated and replaced by
_pdbx_vrpt_model_instance_map_fitting.residue_inclusion
mmcif_pdbx_vrpt.dic
0.063 2021-06-03 Changes (ep):
+ Add "DisulfideBond" and "HydrogenBond" to
_pdbx_vrpt_distance_violation_summary enumeration
mmcif_pdbx_vrpt.dic
0.062 2021-04-28 Changes (ep):
+ Extend enumerations for _pdbx_vrpt_dihedralangle_violation_model.ang_rest_type,
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type,
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
mmcif_pdbx_vrpt.dic
0.061 2021-04-20 Changes (ep):
+ Cleanup descriptions and types of many categories and attributes
mmcif_pdbx_vrpt.dic
0.060 2021-04-09 Preliminary translated version mmcif_pdbx_vrpt.dic
0.064 2022-07-20 Changes (ep):
+ Addition of Q-score data
Add _pdbx_vrpt_summary_em.Q_score
Add pdbx_vrpt_summary_entity_fit_to_map category
Mark _pdbx_vrpt_summary_entity_geometry.average_residue_inclusion as deprecated
and replaced by _pdbx_vrpt_summary_entity_fit_to_map.average_residue_inclusion
Add pdbx_vrpt_model_instance_map_fitting category
Mark pdbx_vrpt_model_instance_density as deprecated and replaced
by pdbx_vrpt_model_instance_map_fitting
Mark _pdbx_vrpt_model_instance_geometry.residue_inclusion deprecated and replaced by
_pdbx_vrpt_model_instance_map_fitting.residue_inclusion
mmcif_pdbx_vrpt.dic
0.063 2021-06-03 Changes (ep):
+ Add "DisulfideBond" and "HydrogenBond" to
_pdbx_vrpt_distance_violation_summary enumeration
mmcif_pdbx_vrpt.dic
0.062 2021-04-28 Changes (ep):
+ Extend enumerations for _pdbx_vrpt_dihedralangle_violation_model.ang_rest_type,
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type,
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
mmcif_pdbx_vrpt.dic
0.061 2021-04-20 Changes (ep):
+ Cleanup descriptions and types of many categories and attributes
mmcif_pdbx_vrpt.dic
0.060 2021-04-09 Preliminary translated version mmcif_pdbx_vrpt.dic
Data Type Code Primitive Type Code Regular Expression Description
alphanum-csv char [A-Za-z0-9]+(,[A-Za-z0-9]+){0,} comma separated alpha numeric codes (single words) (case sensitive) ...
atcode char [][ _(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* Character data type for atom names ...
code char [][_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]* code item types/single words ...
float numb -?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? float item types are the subset of numbers that are the floating
numbers.
int numb [+-]?[0-9]+ int item types are the subset of numbers that are the negative
or positive integers.
line char [][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* char item types / multi-word items ...
text char [][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* text item types / multi-line text ...
ucode uchar [][_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]* code item types/single words (case insensitive) ...
yyyy-mm-dd char [0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9]-[0-9][0-9]
Standard format for CIF dates.
yyyy-mm-dd:hh:mm char [0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9](-[0-9]?[0-9])?(:[0-9]?[0-9]:[0-9][0-9])?
Standard format for CIF dates with optional time stamp.
SubCategory Identifier Description
Units Identifier Description
angstroms Angstroms (metres * 10(-10))
angstroms_squared Angstroms squared (metres * 10(-10))2
degrees degrees (of arc)

Units Conversion List

From Units&Identifier To Units&Identifier Operator Conversion Factor