Convert Talos+ and talos-N output to phi/psi torsion-angle restraints for use in Xplor-NIH.
The allowed range of torsion angles will be all those from the ten Talos+/TalosN hit values. This script will produce restraints for all residues which for which Talos+/N classifies its predictions as "Good" or "Strong". By default, hits are ignored if Talos+/N give them zero weight.
Usage: convertTalos [options]
By default, this script converts pred.tab and predAll.tab files in the current working directory to an output file name talosn.tbl.
options:
-out <tbl filename> - specify an output diehdral restraints filename. [talosn.tbl] -predFile <filename> - input filename for Talos+'s prediction table which lists phi/psi angle mean and width values, and the prediction quality. [pred.tab] -predAllFile <filename> - input filename for Talos+'s detailed results file which contains results information about hits from the chemical shift database. [predAll.tab] -ignoreWeights - use all Talos+/N's hits, not just those with nonzero weight. -widthCushion <val> - specify (in degrees) extra amounts to add/subtract to/from the maximal/minimal angle values. [5 degrees] -minWidth <val> - minimum value of the restraint width. [20 degrees] -segName <segment id> - segment name to use for the generated restraints - blank by default. -omitResids <resids> - exclude phi/psi restraints for the specified residues, given as a space- or colon-delimited list.