CYANA Macro: cashiftaco: Difference between revisions
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== Parameters == | == Parameters == | ||
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== Description == | == Description == | ||
Generates restraints for the backbone | Generates restraints for the backbone torsion angles and in proteins by comparing the Cα chemical shifts with the corresponding random coil values (Spera & Bax, 1991). Angle restraints are derived according to the rules of (Luginbühl et al., 1995). The C random coil shifts are relative to internal TSP. Optionally, an offset is added to the chemical shifts in the proton list. A warning is printed for C chemical shifts that deviate by more than 15 ppm from their random coil value. | ||
by comparing the | |||
values | |||
the rules of | |||
relative to internal TSP. Optionally, an offset | |||
chemical shifts in the proton list. A warning is printed for | |||
shifts that deviate by more than 15 ppm from their random coil value. | |||
Revision as of 15:46, 6 August 2009
Parameters
- offset=real
- (default: 0.0)
- prooffset=real
- (default: 2.0)
Description
Generates restraints for the backbone torsion angles and in proteins by comparing the Cα chemical shifts with the corresponding random coil values (Spera & Bax, 1991). Angle restraints are derived according to the rules of (Luginbühl et al., 1995). The C random coil shifts are relative to internal TSP. Optionally, an offset is added to the chemical shifts in the proton list. A warning is printed for C chemical shifts that deviate by more than 15 ppm from their random coil value.