CSB-CSFRAG

NAME

csb-csfrag - build a dynamic library of analogous fragments

DESCRIPTION

usage: csb-csfrag [-h] -d DATABASE -s SHIFTS [-w WINDOW] [-t TOP] [-c CPU]

[-v VERBOSITY] [-o OUTPUT] [-f] QUERY

CSfrag: build a dynamic library of analogous fragments, given a list of assigned chemical shifts.

positional arguments:

QUERY

query sequence (FASTA file)

optional arguments:

-h, --help

show this help message and exit

-d DATABASE, --database DATABASE

PDBS25 database directory (containing PDBS25cs.scs)

-s SHIFTS, --shifts SHIFTS

assigned chemical shifts table (NMR STAR file fragment)

-w WINDOW, --window WINDOW

sliding window size (default=8)

-t TOP, --top TOP

maximum number per starting position (default=25)

-c CPU, --cpu CPU

maximum degree of parallelism (default=4)

-v VERBOSITY, --verbosity VERBOSITY

verbosity level (default=1)

-o OUTPUT, --output OUTPUT

output directory (default=.)

-f, --filtered-map

make an additional filtered fragment map of centroids (default=False)

AUTHOR

This manpage was written by Andreas Tille for the Debian distribution and can be used for any other usage of the program.