table of contents
SUPYCOMB(1) | User Commands | SUPYCOMB(1) |
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 {SLOW,FAST}, --mode {SLOW,FAST}
- Either SLOW or FAST, default: SLOW)
- -e {YES,NO}, --enantiomorphs {YES,NO}
- Search enantiomorphs, YES or NO, default: YES)
- -q {ON,OFF}, --quiet {ON,OFF}
- Hide log or not, default: ON
- -g {YES,NO}, --gui {YES,NO}
- Use GUI for figures or not, default: YES
- -o OUTPUT, --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.
SEE ALSO¶
The full documentation for supycomb is maintained as a Texinfo manual. If the info and supycomb programs are properly installed at your site, the command
- info supycomb
should give you access to the complete manual.
September 2024 | supycomb 2024.9.0 |