Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
455714 | 2kpb RC | 16551 | cing | 2-parsed | STAR | comment |
data_2kpb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kpb
_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_2kpb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kpb
_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 2kpb "Master copy" parsed_2kpb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kpb
_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 2kpb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kpb 1
1 2kpb.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_2kpb 1
1 2kpb.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_2kpb 1
1 2kpb.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_2kpb 1
1 2kpb.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kpb 1
stop_
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2kpb
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
peaks := arnop.peaks # names of NOESY peak lists
prot := arnop.prot # names of chemical shift lists
constraints := arnop.aco # additional (non-NOE) constraints
tolerance := 0.040,0.040,0.6 # chemical shift tolerances
calibration := # NOE calibration parameters
structures := 100,20 # number of initial, final structures
steps := 10000 # number of torsion angle dynamics steps
rmsdrange := 1..26 # residue range for RMSD calculation
randomseed := 434726 # random number generator seed
noeassign peaks=$peaks prot=$prot autoaco
;
save_