CYANA Macro: talos: Difference between revisions
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== Description == | == Description == | ||
Determines φ/ψ angle restraints by running the external program TALOS+. Chemical shifts must have been read previously. The angle restraints overwrite any angle restraints in memory unless the '''append''' option is given. | Determines φ/ψ angle restraints by running the external program TALOS+ (Shen et al., J. Biomol. NMR 44, 213-223 (2009)). TALOS+ is an external program that must be installed independently from CYANA. TALOS+ will be called with the command given by the '''talos''' parameter. Chemical shifts must have been read previously. The angle restraints overwrite any angle restraints in memory unless the '''append''' option is given. | ||
The typical application is: | |||
read prot all.prot | |||
talos | |||
write aco talos.aco | |||
Revision as of 22:18, 31 July 2011
Parameters
- talos=string
- (default: talos+)
- append
Description
Determines φ/ψ angle restraints by running the external program TALOS+ (Shen et al., J. Biomol. NMR 44, 213-223 (2009)). TALOS+ is an external program that must be installed independently from CYANA. TALOS+ will be called with the command given by the talos parameter. Chemical shifts must have been read previously. The angle restraints overwrite any angle restraints in memory unless the append option is given.
The typical application is:
read prot all.prot talos write aco talos.aco