Automatic linking
Parameters for automatic linking
Linking & cutoffs
Metal : False - 3.50
Amimo acid : False - 1.90
Carbohydrate : True - 1.99
Ligands : True - 1.99
Amino acid - RNA/DNA : False
Number of custom bonds: simple=2, symmetry=0
Number of additional bonds: simple=2, symmetry=0
Coordination:
Other bonds:
Simple bond: pdb=" N3 FAD C 601 "
- pdb=" O2 SO4 F 605 "
Simple bond: pdb=" N3 FAD D 601 "
- pdb=" O4 SO4 F 606 "
Time building additional restraints: 2.29
Conformation dependent library (CDL) restraints added in 636.6 milliseconds
.
.
.
Bond restraints: 15971
Sorted by residual:
bond pdb=" N3 FAD D 601 "
pdb=" O4 SO4 F 606 "
ideal model delta sigma weight residual
1.297 3.084 -1.787 1.00e-02 1.00e+04 3.19e+04
bond pdb=" N3 FAD C 601 "
pdb=" O2 SO4 F 605 "
ideal model delta sigma weight residual
1.297 2.975 -1.678 1.00e-02 1.00e+04 2.81e+04
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The output refined PDB file shows the links were made. The LINK lines were not in the input PDB file.