NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | type |
455709 | 2kpb | 16551 | 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 := 100,20 # 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
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