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
	629973	5wov	30323	cing	4-filtered-FRED	Wattos	check	surplus	distance

data_5wov


save_Distance_constraint_surplus
    _Distance_constraint_surplus.Sf_category                     distance_constraint_surplus
    _Distance_constraint_surplus.Redundancy_threshold_pct        5.00
    _Distance_constraint_surplus.Update_original_constraints     no
    _Distance_constraint_surplus.Only_filter_fixed               no
    _Distance_constraint_surplus.Averaging_method                sum
    _Distance_constraint_surplus.Number_of_monomers_sum_average  1
    _Distance_constraint_surplus.Constraint_count                295
    _Distance_constraint_surplus.Constraint_surplus_count        12
    _Distance_constraint_surplus.Constraint_nonsurplus_count     283
    _Distance_constraint_surplus.Constraint_exceptional_count    0
    _Distance_constraint_surplus.Constraint_double_count         0
    _Distance_constraint_surplus.Constraint_impossible_count     0
    _Distance_constraint_surplus.Constraint_fixed_count          0
    _Distance_constraint_surplus.Constraint_redundant_count      12
    _Distance_constraint_surplus.Details                         
;
A detailed methodology description is available at:
http://nmr.cmbi.ru.nl/~jd/wattos/doc/Wattos/Soup/Constraint/dc_surplus.html

Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * Threshold percentage for determining redundant restraints.
*  5 * Should surplus be removed.
*  6 * Should only the fixed restraints be considered surplus.
*  7 * Method for averaging distances (center, R^-6 or sum).
*  8 * In case of sum averaging the monomer count.
*  9 * Number of restraints in restraint list.           Set U
*  10 * Number of surplus restraints.                     Set S = E u D u I u F u R 
*  11 * Non-surplus restraints.                           Set N = U - S
*  12 * Exceptional restraints, i.e. with an unknown atom.Set E
*  13 * Double restraints.                                Set D
*  14 * Impossible restraints.                            Set I
*  15 * Fixed restraints.                                 Set F
*  16 * Redundant intraresidual restraints.               Set R
*  17 * This tag
;


save_

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