NAME
csb-bfite - models non-rigid displacements in protein ensembles with outlier-tolerant probability distributions
DESCRIPTION
usage: csb-bfite [-h] [-c CHAIN] [-s {student,k}] [-a ALIGNMENT] [-o OUTFILE]
-
[-n NITER] pdb
Python application for robust structure superposition of an ensemble of structures. bfite models non-rigid displacements in protein ensembles with outlier-tolerant probability distributions.
positional arguments:
- pdb
-
full path to the ensemble
optional arguments:
- -h, --help
-
show this help message and exit
- -c CHAIN, --chain CHAIN
-
Chain (default=A)
- -s {student,k}, --scalemixture {student,k}
-
Scale mixture distribution (default=student)
- -a ALIGNMENT, --alignment ALIGNMENT
-
Alignment in fasta format defining equivalent positions Assumes that chain1 is the first sequence of the alignment and chain2 the second sequence
- -o OUTFILE, --outfile OUTFILE
-
file to which the rotated second structure will be written (default=bfit.pdb)
- -n NITER, --niter NITER
-
Number of optimization steps (default=200)
AUTHOR
This manpage was written by Andreas Tille for the Debian distribution and can be used for any other usage of the program.