CYANA Macro: cashiftaco: Difference between revisions

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== Description ==
== 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.
Generates restraints for the backbone torsion angles Φ and Ψ in proteins by comparing the C<sup>α</sup> 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<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.

Revision as of 15:53, 6 August 2009

Parameters

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

Description

Generates restraints for the backbone torsion angles Φ and Ψ 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 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.

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