NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id bmrb_id cing stage position type
456207 2kpa 16550 cing 1-original 2 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  := 100,50                   # 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

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