Bio.PDB.ccealign module

Pairwise structure alignment of 3D structures using combinatorial extension.

This module implements a single function: run_cealign. Refer to its docstring for more documentation on usage and implementation.

Bio.PDB.ccealign.run_cealign(coordsA, coordsB, windowSize, gapMax) → list

Find the optimal alignments between two structures, using CEAlign.

Arguments: - listA: List of lists with coordinates for structure A. - listB: List of lists with coordinates for structure B. - windowSize: Length of fragments to be used in alignment. - gapMax: Maximum gap allowed between two aligned fragment pairs.