CYANA Macro: talosaco: Difference between revisions
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''Generate torsion angle restraints from TALOS+ output'' | |||
== Parameters == | == Parameters == | ||
; file=''filename''.tab | ; file=''filename''.tab: (required) | ||
; factor=''real'': (default: 2.0) | ; factor=''real'': (default: 2.0) | ||
; width=''real'': (default: 20.0) | ; width=''real'': (default: 20.0) | ||
; append | |||
== Description == | == Description == | ||
Reads results of the TALOS+ program (Shen et al., J. Biomol. NMR 44, 213-223 (2009)) from the given TALOS+ output ''file'' and generates restraints for the protein backbone torsion angles φ and ψ. | |||
Restraints are generated for residues for which TALOS+ classified its prediction as 'Good'. Prolines are excluded. The angle range is centered at the TALOS-predicted average value and has a half-width equal to the TALOS-predicted standard deviation multiplied by the ''factor'' given by the '''factor''' parameter or one half of the ''width'' given by the '''width''' parameter, whatever is larger. | |||
This command is used by the [[CYANA Macro: talos|talos]] macro that generates angle restraints from chemical shifts. | |||
== See also == | == See also == | ||
* [[CYANA Macro: talos|talos]] | * [[CYANA Macro: talos|talos]] | ||
Latest revision as of 10:54, 1 August 2011
Generate torsion angle restraints from TALOS+ output
Parameters
- file=filename.tab
- (required)
- factor=real
- (default: 2.0)
- width=real
- (default: 20.0)
- append
Description
Reads results of the TALOS+ program (Shen et al., J. Biomol. NMR 44, 213-223 (2009)) from the given TALOS+ output file and generates restraints for the protein backbone torsion angles φ and ψ.
Restraints are generated for residues for which TALOS+ classified its prediction as 'Good'. Prolines are excluded. The angle range is centered at the TALOS-predicted average value and has a half-width equal to the TALOS-predicted standard deviation multiplied by the factor given by the factor parameter or one half of the width given by the width parameter, whatever is larger.
This command is used by the talos macro that generates angle restraints from chemical shifts.