Tag category Constraint_stat_list_ens
Key tags (columns):
Tags in table Constraint_stat_list_ens:
Tag | Description | data type | Mandatory |
---|---|---|---|
All_dist_rmsd | Root mean squared deviation calculated over all distance constraint violations. | float | |
All_dist_rmsd_err | Estimated error in the rmsd calculated over all distance contstraint violations. | float | |
Amb_intermol_dist_rmsd | Root mean squared deviation calculated over the ambiguous intermolecular distance constraint violations for the ensemble of conformers. | float | |
Amb_intermol_dist_rmsd_err | Estimated error in the rmsd calculated over the ambiguous intermolecular distance constraint violations for the ensemble of conformers. | float | |
Amb_intramol_dist_rmsd | Root mean squared deviation calculated over the ambiguous intramolecular distance constraint violations for the ensemble of conformers. | float | |
Amb_intramol_dist_rmsd_err | Estimated error in the rmsd calculated over the ambiguous intramolecular distance constraint violations for the ensemble of conformers. | float | |
Constraint_stat_list_ID | Pointer to '_Constraint_stat_list.ID' | int | yes |
Constraint_stats_not_available | Depositors are strongly encouraged to provide a few statistics related to the constraints used to calculate the ensemble of conformers and the conformer ensemble. If the statistics are not available the box provided can be checked and the constraint stat | yes_no | |
Dihedral_angle_rmsd | Root mean squared deviation value for the dihedral angle constraint violations calculated over the ensemble of conformers. | float | |
Dihedral_angle_rmsd_err | Estimated error in the dihedral angle constraint violations calculated over the ensemble of conformers. | float | |
Dihedral_const_stat_calc_meth | Method used to calculate the dihedral angle constraint violation statistics. | line | |
Dihedral_const_violat_avg | Average dihedral angle constraint violation calculated over the ensemble of conformers. | float | |
Dihedral_const_violat_max | Value for the maximum dihedral angle constratint violation for the ensemble of conformers. | float | |
Dipolar_13C_13C_rmsd | Root mean square deviation for the 13C-13C residual dipolar coupling restraints. | float | |
Dipolar_13C_13C_rmsd_err | Root mean square deviation error for the 13C-13C residual dipolar coupling restraints. | float | |
Dipolar_1H_13C_rmsd | Root mean square deviation for the 1H-13C residual dipolar coupling restraints. | float | |
Dipolar_1H_13C_rmsd_err | Root mean square deviation error for the 1H-13C residual dipolar coupling restraints. | float | |
Dipolar_1H_15N_rmsd | Root mean square deviation for the 1H-15N residual dipolar coupling restraints. | float | |
Dipolar_1H_15N_rmsd_err | Root mean square deviation error for the 1H-15N residual dipolar coupling restraints. | float | |
Dipolar_1H_1H_rmsd | Root mean square deviation for the 1H-1H residual dipolar coupling restraints. | float | |
Dipolar_1H_1H_rmsd_err | Root mean square deviation error for the 1H-1H residual dipolar coupling restraints. | float | |
Dist_constraint_violation_avg | Value for the average distance constraint violation. | float | |
Dist_constraint_violation_max | Value for the maximum distance constraint violation in angstroms. | float | |
Entry_ID | Pointer to '_Entry.ID' | code | yes |
Hydrogen_bond_rmsd | Root mean squared deviation calculated over the hydrogen bond constraint violations for the ensemble of conformers. | float | |
Hydrogen_bond_rmsd_err | Estimated error in the rmsd calculated over the hydrogen bond constraint violations for the ensemble of conformers. | float | |
Intraresidue_dist_rmsd | Root mean squared deviation calculated over the intraresidue distance constrant violations for the ensemble of conformers. | float | |
Intraresidue_dist_rmsd_err | Estimated error in the rmsd calculated over the intraresidue distance constraint violations for the ensemble of conformers. | float | |
Long_range_dist_rmsd | Root mean squared deviation calculated over the 'long range' distance constraint violations for the ensemble of conformers. | float | |
Long_range_dist_rmsd_err | Estimated error in the rmsd calculated over the 'long range' distnace constraint violations for the ensemble of conformers. | float | |
Lower_dist_constr_violat_max | Value for the maximum lower distance constraint violation in angstroms. | float | |
Sequential_dist_rmsd | Root mean squared deviation calculated over the 'sequencial distance constraint violations for the ensemble of conformers. | float | |
Sequential_dist_rmsd_err | Estimated error in the rmsd calculated over the 'sequencial' distance constraint violations for the ensemble of conformers. | float | |
Sf_ID | Pointer to '_Constraint_stat_list.Sf_ID' | int | yes |
Short_range_dist_rmsd | Root mean squared deviation calculated over the 'short range' distance constraint violations for the ensemble of conformers. | float | |
Short_range_dist_rmsd_err | Estimated error in the rmsd calculated over the 'short range' distance constraint violations for the ensemble of conformers. | float | |
Unamb_intermol_dist_rmsd | Root mean squared deviation calculated over the unambiguous intermolecular distance constraint violations for the ensemble of conformers. | float | |
Unamb_intermol_dist_rmsd_err | Estimated error in the rmsd calculated over the unambiguous intermolecular distance constraint violations for the ensemble of conformers. | float | |
Upper_dist_constr_violat_max | Value for the maximum upper distance constraint violation in angstroms. | float | |