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SORTTRANS

This program takes the output from a scan, and cleans and sorts the output. It removes repeated transformations by a simple least squares comparison of the matrices and vectors for those transformations which have the same identifier.

The format is:

sorttrans -f <scan output file> -s <keyword> <cutoff> [-t -i]

-f reads output from STAMP scanning, -s tells the program how to sort the output. The keyword tells which method to use. There are 8 possible keywords:

Sc              sort by Sc
rms             RMS deviaition
nfit            number of fitted atoms
len             alignment length
frac            nfit/len
q_frac          nfit/q_len (q_len = length of query structure)
d_frac          nfit/d_len (d_len = length of database structure)
n_sec           number of equivalent secondary structure elements
seq_id          percent  sequence identity
sec_id          percent secondary structure identity

sorted transformations are written to the standard output.
The option -t ==> ignore identifiers. This means that domains will be ignored if they have similar transformations and the same filename (i.e. assumes that if the same transformation is applied to the same file, we are dealing with the same superimposition).



Rob Russell and Geoff Barton