DOKK / manpages / debian 12 / csb / csb-bfit.1.en
CSB-BFIT(1) User Commands CSB-BFIT(1)

csb-bfit - models non-rigid displacements in protein ensembles with outlier-tolerant probability distributions

usage: csb-bfit [-h] [-c CHAIN1] [-d CHAIN2] [-s {student,k}] [-a ALIGNMENT]

[-o OUTFILE] [-n NITER] [--em] pdb1 pdb2

Python application for robust structure superposition of two structures. bfit models non-rigid displacements in protein ensembles with outlier-tolerant probability distributions.

full path to the first structure
full path to the second structure

show this help message and exit
Chain of the first structure (default=A)
Chain of the second structure (default=A)
Scale mixture distribution (default=student)
Alignment in fasta format defining equivalent positions Assumes that chain1 is the first sequence of the alignment and chain2 the second sequence
file to which the rotated second structure will be written (default=bfit.pdb)
Number of optimization steps (default=200)
Use the EM algorithm for optimsation (default=False)

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

November 2017 csb-bfit 1.2.5