NAME
csb-precision - measure the precision and coverage of a fragment library
DESCRIPTION
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)
AUTHOR
This manpage was written by Andreas Tille for the Debian distribution and can be used for any other usage of the program.