RESTRAINT.DC :
dictionary of weights and sigmas for restraints in NUCLSQ (written on
LSQ.DAT if not present)
File containing standard restraints parameters for NUCLSQ:
Weight and sigmas applied to distances
1.0,.025,.05,.05,.075,100.
Weight and sigmas applied to planar groups
1.0,.03
Weight and sigmas applied to chiral groups
1.0,.10
Weight and sigmas applied to B-values
1.0,7.5,7.5,7.5,7.5,100.
Weight and sigmas applied to van der waals contacts
1.,.25,-.40,-.40,-.10
Weight and sigmas applied to torsion angles
1.,2.,2.,15.,20.,100.
Shift restraints on magnitude, B-value, and occupancy
0.3,3.0,1.0
Weight and sigmas applied to non-crystallographic restraints
1.0,.2,.2,.2,5.,5.,5.
Weight and sigmas applied on pseudorotation and weight on occupancy
1.,4.5,9.0,3.0,5.0,0.2