CYANA Macro: cashiftaco
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Parameters
- offset=real
- (default: 0.0)
- prooffset=real
- (default: 2.0)
Description
Generates restraints for the backbone dihedral angles f and y in proteins by comparing the Ca chemical shifts with the corresponding random coil values of Spera & Bax (1991). Angle restraints are derived according to the rules of Luginbuehl et al. (1995). The Ca random coil shifts are relative to internal TSP. Optionally, an offset Dw is added to the chemical shifts in the proton list. A warning is printed for Ca chemical shifts that deviate by more than 15 ppm from their random coil value.