NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord stage program type
29784 1bct cing recoord 2-parsed STAR comment


data_1bct_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1bct 
    _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_1bct   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1bct 
    _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   1bct   "Master copy"    parsed_1bct   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1bct 
    _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   1bct.mr   .   .   "MR format"         1    comment                  "Not applicable"    "Not applicable"    0   parsed_1bct   1   
        1   1bct.mr   .   .    MARDIGRAS/CORMA    2    peak                     "Not applicable"    "Not applicable"    0   parsed_1bct   1   
        1   1bct.mr   .   .    n/a                3    comment                  "Not applicable"    "Not applicable"    0   parsed_1bct   1   
        1   1bct.mr   .   .    unknown            4    exchange                 "Not applicable"    "Not applicable"    0   parsed_1bct   1   
        1   1bct.mr   .   .    n/a                5    comment                  "Not applicable"    "Not applicable"    0   parsed_1bct   1   
        1   1bct.mr   .   .    DYANA/DIANA        6    distance                  NOE                 simple             0   parsed_1bct   1   
        1   1bct.mr   .   .    DYANA/DIANA        7    distance                 "hydrogen bond"      simple             0   parsed_1bct   1   
        1   1bct.mr   .   .    DYANA/DIANA        8    distance                 "hydrogen bond"      simple             0   parsed_1bct   1   
        1   1bct.mr   .   .    DYANA/DIANA        9   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1bct   1   
        1   1bct.mr   .   .   "MR format"        10   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1bct   1   
    stop_

save_


save_MR_file_comment_5
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1bct 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            5 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
-----------------------------------------------------------------------
II.	THIS SECTION CONTAINS INPUT DATA FOR DIANA
-----------------------------------------------------------------------
#   
#  This data include all upper limit interproton distance and torsion 
#  angle restraints in DIANA format. Interproton distance restraints have 
#  FORMAT(I3,1X,2A5,I4,1X,2A5,F7.2) and the correspondent records contain 
#  residue number, residue name and atom name of the first and second atom, 
#  respectively, and the distance limit in Angstroms. Torsion angle restraints 
#  have FORMAT(I4,1X,A5,1X,A5,2F8.1) and the correspondent records contain the 
#  residue number, the residue name, the dihedral angle name, and lower and 
#  upper bounds of the allowed interval in degrees.
#
#     
#-----------------------------------------------------------------------
;

save_





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