NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
562405 4bd3 18764 cing 2-parsed STAR distance general distance ambi


data_4bd3_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_4bd3 
    _Study_list.ID           1 

    loop_
        _Study.ID 
        _Study.Name 
        _Study.Type 
        _Study.Details 
        _Study.Entry_ID 
        _Study.Study_list_ID 

        1   "Conversion project"    NMR   .   parsed_4bd3   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_4bd3 
    _Entry.Title                       "Original constraint list(s)" 
    _Entry.Version_type                 original 
    _Entry.Submission_date              . 
    _Entry.Accession_date               . 
    _Entry.Last_release_date            . 
    _Entry.Original_release_date        . 
    _Entry.Origination                  . 
    _Entry.NMR_STAR_version             3.1 
    _Entry.Original_NMR_STAR_version    . 
    _Entry.Experimental_method          NMR 
    _Entry.Experimental_method_subtype  . 

    loop_
        _Related_entries.Database_name 
        _Related_entries.Database_accession_code 
        _Related_entries.Relationship 
        _Related_entries.Entry_ID 

        PDB   4bd3   "Master copy"    parsed_4bd3   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_4bd3 
    _Constraint_stat_list.ID           1 

    loop_
        _Constraint_file.ID 
        _Constraint_file.Constraint_filename 
        _Constraint_file.Software_ID 
        _Constraint_file.Software_label 
        _Constraint_file.Software_name 
        _Constraint_file.Block_ID 
        _Constraint_file.Constraint_type 
        _Constraint_file.Constraint_subtype 
        _Constraint_file.Constraint_subsubtype 
        _Constraint_file.Constraint_number 
        _Constraint_file.Entry_ID 
        _Constraint_file.Constraint_stat_list_ID 

        1   4bd3.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"       0   parsed_4bd3   1   
        1   4bd3.mr   .   .    XPLOR/CNS     2    distance                  NOE                   ambi               1785   parsed_4bd3   1   
        1   4bd3.mr   .   .    XPLOR/CNS     3    distance                 "general distance"     ambi                  0   parsed_4bd3   1   
        1   4bd3.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"        simple                0   parsed_4bd3   1   
        1   4bd3.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"      "Not applicable"       0   parsed_4bd3   1   
        1   4bd3.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"       0   parsed_4bd3   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_4bd3 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

        1   "assign (segid PROT and name c* and resid 13 and not ( name ca or name c or name cb) ) (segid PEPT and resid 106 and name NZ) 4.000 1.000 1.000"    3   1   3   142   parsed_4bd3   1   
        2   "assign (segid PROT and name c* and resid 19 and not ( name ca or name c or name cb) ) (segid PEPT and resid 106 and name NZ) 4.000 1.000 1.000"    4   1   4   142   parsed_4bd3   1   
        3   "assign (segid PROT and name c* and resid 37 and not ( name ca or name c or name cb) ) (segid PEPT and resid 106 and name NZ) 4.000 1.000 1.000"    5   1   5   142   parsed_4bd3   1   
        4   "assign (segid PROT and name c* and resid 43 and not ( name ca or name c or name cb) ) (segid PEPT and resid 106 and name NZ) 4.000 1.000 1.000"    6   1   6   142   parsed_4bd3   1   
    stop_

save_





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