NMR Restraints Grid

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

image	mrblock_id	pdb_id	cing	stage	program	type	subtype	subsubtype
	282821	2krd	cing	2-parsed	STAR	distance	NOE	ambi

data_2krd_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2krd 
    _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_2krd   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2krd 
    _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   2krd   "Master copy"    parsed_2krd   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2krd 
    _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   2krd.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"     0   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      2    distance                  NOE                 simple             15   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      3    distance                  NOE                 ambi                0   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      4    distance                  NOE                 simple              0   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      5    distance                  NOE                 ambi                0   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      6    distance                  NOE                 ambi                0   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      7    distance                  NOE                 ambi                0   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      8    distance                  NOE                 simple              0   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      9    distance                  NOE                 simple              0   parsed_2krd   1   
        1   2krd.mr   .   .   "MR format"    10   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2krd   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2krd 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _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 (id 1636) ((id 1656) or (id 1657) or (id 1659) or (id 1660)) 6.00 4.20 0.00"    1   1   1   82   parsed_2krd   1   
        2   "assign (id 1636) ((id 1667) or (id 1668)) 6.00 4.20 0.00"                              2   1   2   56   parsed_2krd   1   
        3   "assign (id 1636) ((id 1653) or (id 1654)) 6.00 4.20 0.00"                              3   1   3   56   parsed_2krd   1   
        4   "assign (id 1644) ((id 1656) or (id 1657) or (id 1659) or (id 1660)) 6.00 4.20 0.00"    4   1   4   82   parsed_2krd   1   
        5   "assign (id 1644) ((id 1667) or (id 1668)) 6.00 4.20 0.00"                              5   1   5   56   parsed_2krd   1   
        6   "assign (id 1644) ((id 1653) or (id 1654)) 6.00 4.20 0.00"                              6   1   6   56   parsed_2krd   1   
        7   "assign (id 1642) (resid 148 and name HG2*) 6.00 4.20 0.00"                             7   1   7   57   parsed_2krd   1   
        8   "assign (id 1642) (resid 148 and name HD1*) 6.00 4.20 0.00"                             8   1   8   57   parsed_2krd   1   
        9   "assign (id 1642) (resid 153 and name HE*) 6.00 4.20 0.00"                              9   1   9   56   parsed_2krd   1   
    stop_

save_

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