CYANA Macro: cashiftaco: Difference between revisions
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== Description == | == Description == | ||
Generates restraints for the backbone | Generates restraints for the backbone dihedral angles Φ and Ψ in proteins by comparing the C<sup>α</sup> chemical shifts with the corresponding random coil values of Spera & Bax (1991). Angle restraints are derived according to the rules of Luginbühl et al. (1995). The C<sup>α</sup> random coil shifts are relative to internal TSP. Optionally, an '''offset''' Δω is added to the chemical shifts in the proton list. A warning is printed for C<sup>α</sup> chemical shifts that deviate by more than 15 ppm from their random coil value. | ||
Latest revision as of 15:40, 12 January 2010
Parameters
- offset=real
- (default: 0.0)
- prooffset=real
- (default: 2.0)
Description
Generates restraints for the backbone dihedral angles Φ and Ψ in proteins by comparing the Cα chemical shifts with the corresponding random coil values of Spera & Bax (1991). Angle restraints are derived according to the rules of Luginbühl et al. (1995). The Cα random coil shifts are relative to internal TSP. Optionally, an offset Δω is added to the chemical shifts in the proton list. A warning is printed for Cα chemical shifts that deviate by more than 15 ppm from their random coil value.