csb-precision1
Measure the precision and coverage of a fragment library
Overview
usage: csb-precision [-h] -p PDB -n NATIVE [-c CHAIN] [-t TOP] [-C CPU]
- [-r RMSD] [-o OUTPUT] [-s]
-
library
Measure the precision and coverage of a fragment library stored in Rosetta NNmake format.
positional arguments:
- library
-
Fragment library file in Rosetta NNmake format
optional arguments:
-
-h, --help -
show this help message and exit
-
-p PDB, --pdb PDB -
the PDB database (a directory containing all PDB files)
-
-n NATIVE, --native NATIVE -
native structure of the target (PDB file)
-
-c CHAIN, --chain CHAIN -
chain identifier (if not specified, the first chain)
-
-t TOP, --top TOP -
read top N fragments per position (default=25)
-
-C CPU, --cpu CPU -
maximum degree of parallelism (default=4)
-
-r RMSD, --rmsd RMSD -
RMSD cutoff for precision and coverage (default=1.5)
-
-o OUTPUT, --output OUTPUT -
output directory (default=.)
-
-s, --save-structures -
create a PDB file for each fragment, superimposed over the native (default=False)
Releases
Unchanged in 4 releases since Debian 10 (Buster).