Class Refine
java.lang.Object
org.biojava.nbio.structure.io.mmcif.model.Refine
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Constructor Summary
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Method Summary
Modifier and TypeMethodDescriptionvoid
setAniso_B11
(String aniso_B11) void
setAniso_B12
(String aniso_B12) void
setAniso_B13
(String aniso_B13) void
setAniso_B22
(String aniso_B22) void
setAniso_B23
(String aniso_B23) void
setAniso_B33
(String aniso_B33) void
setB_iso_max
(String b_iso_max) void
setB_iso_mean
(String b_iso_mean) void
setB_iso_min
(String b_iso_min) void
setCorrelation_coeff_Fo_to_Fc
(String correlation_coeff_Fo_to_Fc) void
setCorrelation_coeff_Fo_to_Fc_free
(String correlation_coeff_Fo_to_Fc_free) void
setDetails
(String details) void
setEntry_id
(String entry_id) void
setLs_d_res_high
(String ls_d_res_high) void
setLs_d_res_low
(String ls_d_res_low) void
setLs_matrix_type
(String ls_matrix_type) void
setLs_number_parameters
(String ls_number_parameters) void
setLs_number_reflns_all
(String ls_number_reflns_all) void
setLs_number_reflns_obs
(String ls_number_reflns_obs) void
setLs_number_reflns_R_free
(String ls_number_reflns_R_free) void
setLs_number_reflns_R_work
(String ls_number_reflns_R_work) void
setLs_number_restraints
(String ls_number_restraints) void
setLs_percent_reflns_obs
(String ls_percent_reflns_obs) void
setLs_percent_reflns_R_free
(String ls_percent_reflns_R_free) void
setLs_R_factor_all
(String ls_R_factor_all) void
setLs_R_factor_obs
(String ls_R_factor_obs) void
setLs_R_factor_R_free
(String ls_R_factor_R_free) void
setLs_R_factor_R_free_error
(String ls_R_factor_R_free_error) void
setLs_R_factor_R_free_error_details
(String ls_R_factor_R_free_error_details) void
setLs_R_factor_R_work
(String ls_R_factor_R_work) void
setLs_redundancy_reflns_obs
(String ls_redundancy_reflns_obs) void
setLs_wR_factor_R_free
(String ls_wR_factor_R_free) void
setLs_wR_factor_R_work
(String ls_wR_factor_R_work) void
setOccupancy_max
(String occupancy_max) void
setOccupancy_min
(String occupancy_min) void
setOverall_FOM_free_R_set
(String overall_FOM_free_R_set) void
setOverall_FOM_work_R_set
(String overall_FOM_work_R_set) void
setOverall_SU_B
(String overall_SU_B) void
setOverall_SU_ML
(String overall_SU_ML) void
setOverall_SU_R_Cruickshank_DPI
(String overall_SU_R_Cruickshank_DPI) void
setOverall_SU_R_free
(String overall_SU_R_free) void
setPdbx_data_cutoff_high_absF
(String pdbx_data_cutoff_high_absF) void
setPdbx_data_cutoff_high_rms_absF
(String pdbx_data_cutoff_high_rms_absF) void
setPdbx_data_cutoff_low_absF
(String pdbx_data_cutoff_low_absF) void
setPdbx_diffrn_id
(String pdbx_diffrn_id) void
setPdbx_isotropic_thermal_model
(String pdbx_isotropic_thermal_model) void
setPdbx_ls_cross_valid_method
(String pdbx_ls_cross_valid_method) void
setPdbx_ls_sigma_F
(String pdbx_ls_sigma_F) void
setPdbx_ls_sigma_I
(String pdbx_ls_sigma_I) void
setPdbx_method_to_determine_struct
(String pdbx_method_to_determine_struct) void
setPdbx_overall_ESU_R
(String pdbx_overall_ESU_R) void
setPdbx_overall_ESU_R_Free
(String pdbx_overall_ESU_R_Free) void
setPdbx_overall_phase_error
(String pdbx_overall_phase_error) void
setPdbx_overall_SU_R_Blow_DPI
(String pdbx_overall_SU_R_Blow_DPI) void
setPdbx_overall_SU_R_free_Blow_DPI
(String pdbx_overall_SU_R_free_Blow_DPI) void
setPdbx_overall_SU_R_free_Cruickshank_DPI
(String pdbx_overall_SU_R_free_Cruickshank_DPI) void
setPdbx_R_Free_selection_details
(String pdbx_R_Free_selection_details) void
setPdbx_refine_id
(String pdbx_refine_id) void
setPdbx_solvent_ion_probe_radii
(String pdbx_solvent_ion_probe_radii) void
setPdbx_solvent_shrinkage_radii
(String pdbx_solvent_shrinkage_radii) void
setPdbx_solvent_vdw_probe_radii
(String pdbx_solvent_vdw_probe_radii) void
setPdbx_starting_model
(String pdbx_starting_model) void
setPdbx_stereochem_target_val_spec_case
(String pdbx_stereochem_target_val_spec_case) void
setPdbx_stereochemistry_target_values
(String pdbx_stereochemistry_target_values) void
setPdbx_TLS_residual_ADP_flag
(String pdbx_TLS_residual_ADP_flag) void
setSolvent_model_details
(String solvent_model_details) void
setSolvent_model_param_bsol
(String solvent_model_param_bsol) void
setSolvent_model_param_ksol
(String solvent_model_param_ksol)
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Constructor Details
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Refine
public Refine()
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Method Details
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getEntry_id
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setEntry_id
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getLs_number_reflns_obs
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setLs_number_reflns_obs
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getLs_number_reflns_all
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setLs_number_reflns_all
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getPdbx_ls_sigma_I
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setPdbx_ls_sigma_I
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getPdbx_ls_sigma_F
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setPdbx_ls_sigma_F
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getPdbx_data_cutoff_high_absF
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setPdbx_data_cutoff_high_absF
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getPdbx_data_cutoff_low_absF
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setPdbx_data_cutoff_low_absF
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getPdbx_data_cutoff_high_rms_absF
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setPdbx_data_cutoff_high_rms_absF
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getLs_d_res_low
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setLs_d_res_low
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getLs_d_res_high
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setLs_d_res_high
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getLs_percent_reflns_obs
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setLs_percent_reflns_obs
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getLs_R_factor_obs
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setLs_R_factor_obs
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getLs_R_factor_all
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setLs_R_factor_all
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getLs_R_factor_R_work
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setLs_R_factor_R_work
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getLs_R_factor_R_free
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setLs_R_factor_R_free
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getLs_R_factor_R_free_error
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setLs_R_factor_R_free_error
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getLs_R_factor_R_free_error_details
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setLs_R_factor_R_free_error_details
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getLs_percent_reflns_R_free
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setLs_percent_reflns_R_free
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getLs_number_reflns_R_free
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setLs_number_reflns_R_free
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getLs_number_parameters
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setLs_number_parameters
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getLs_number_restraints
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setLs_number_restraints
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getOccupancy_min
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setOccupancy_min
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getOccupancy_max
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setOccupancy_max
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getB_iso_mean
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setB_iso_mean
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getSolvent_model_details
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setSolvent_model_details
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getSolvent_model_param_ksol
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setSolvent_model_param_ksol
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getSolvent_model_param_bsol
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setSolvent_model_param_bsol
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getPdbx_ls_cross_valid_method
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setPdbx_ls_cross_valid_method
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getDetails
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setDetails
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getPdbx_starting_model
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setPdbx_starting_model
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getPdbx_method_to_determine_struct
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setPdbx_method_to_determine_struct
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getPdbx_isotropic_thermal_model
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setPdbx_isotropic_thermal_model
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getPdbx_stereochemistry_target_values
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setPdbx_stereochemistry_target_values
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getPdbx_stereochem_target_val_spec_case
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setPdbx_stereochem_target_val_spec_case
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getPdbx_R_Free_selection_details
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setPdbx_R_Free_selection_details
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getPdbx_overall_ESU_R
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setPdbx_overall_ESU_R
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getPdbx_overall_ESU_R_Free
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setPdbx_overall_ESU_R_Free
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getOverall_SU_ML
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setOverall_SU_ML
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getOverall_SU_B
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setOverall_SU_B
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getPdbx_refine_id
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setPdbx_refine_id
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getLs_redundancy_reflns_obs
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setLs_redundancy_reflns_obs
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getPdbx_overall_phase_error
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setPdbx_overall_phase_error
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getB_iso_min
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setB_iso_min
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getB_iso_max
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setB_iso_max
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getCorrelation_coeff_Fo_to_Fc
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setCorrelation_coeff_Fo_to_Fc
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getCorrelation_coeff_Fo_to_Fc_free
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setCorrelation_coeff_Fo_to_Fc_free
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getPdbx_solvent_vdw_probe_radii
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setPdbx_solvent_vdw_probe_radii
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getPdbx_solvent_ion_probe_radii
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setPdbx_solvent_ion_probe_radii
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getPdbx_solvent_shrinkage_radii
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setPdbx_solvent_shrinkage_radii
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getOverall_SU_R_Cruickshank_DPI
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setOverall_SU_R_Cruickshank_DPI
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getOverall_SU_R_free
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setOverall_SU_R_free
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getLs_wR_factor_R_free
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setLs_wR_factor_R_free
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getLs_wR_factor_R_work
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setLs_wR_factor_R_work
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getOverall_FOM_free_R_set
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setOverall_FOM_free_R_set
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getOverall_FOM_work_R_set
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setOverall_FOM_work_R_set
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getPdbx_diffrn_id
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setPdbx_diffrn_id
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getPdbx_TLS_residual_ADP_flag
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setPdbx_TLS_residual_ADP_flag
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getPdbx_overall_SU_R_free_Cruickshank_DPI
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setPdbx_overall_SU_R_free_Cruickshank_DPI
public void setPdbx_overall_SU_R_free_Cruickshank_DPI(String pdbx_overall_SU_R_free_Cruickshank_DPI) -
getPdbx_overall_SU_R_Blow_DPI
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setPdbx_overall_SU_R_Blow_DPI
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getPdbx_overall_SU_R_free_Blow_DPI
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setPdbx_overall_SU_R_free_Blow_DPI
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getLs_matrix_type
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setLs_matrix_type
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getLs_number_reflns_R_work
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setLs_number_reflns_R_work
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getAniso_B11
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setAniso_B11
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getAniso_B22
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setAniso_B22
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getAniso_B33
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setAniso_B33
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getAniso_B12
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setAniso_B12
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getAniso_B13
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setAniso_B13
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getAniso_B23
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setAniso_B23
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