csb-csfrag1
Build a dynamic library of analogous fragments
Overview
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)
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-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)
Releases
Unchanged in 4 releases since Debian 10 (Buster).