Man page - supycomb(1)

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Manual

SUPYCOMB

NAME
DESCRIPTION
positional arguments:
options:
SEE ALSO

NAME

supycomb - manual page for supycomb 2024.9.0

DESCRIPTION

usage: supycomp [OPTIONS] FILES

Align several models and calculate NSD

positional arguments:

FILE

pdb files to align

options:

-h , --help

show this help message and exit

-v , --verbose

switch to verbose mode

-V , --version

show program’s version number and exit

-m , --mode {SLOW,FAST}

Either SLOW or FAST, default: SLOW)

-e , --enantiomorphs {YES,NO}

Search enantiomorphs, YES or NO, default: YES)

-q , --quiet {ON,OFF}

Hide log or not, default: ON

-g , --gui {YES,NO}

Use GUI for figures or not, default: YES

-o , --output OUTPUT

output filename, default: aligned.pdb

supycomb is an open-source implementation of [J. Appl. Cryst. (2001). 34, 33-41](doi:10.1107/S0021889800014126). The main difference with supcomb: the fast mode does not re-bin beads. It only refines the best matching orientation which provides a speed-up of a factor 8.