CYANA Macro: cashiftaco: Difference between revisions

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== Description ==
== 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.
Generates restraints for the backbone torsion angles \Phi 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.

Revision as of 14:49, 6 August 2009

Parameters

offset=real
(default: 0.0)
prooffset=real
(default: 2.0)

Description

Generates restraints for the backbone torsion angles \Phi 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.

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