The code is short and provides more flexibility to the user. We should have a short UG page that shows some basic interoperability with biopythons Bio.align module and mention how ResidueGroup can directly provide sequences as input for functions/classes in Bio.align.
Describe alternatives you've considered
Do nothing...
Additional context
This is the restructured text that could be used directly for a UG entry:
If you prefer to work directly with :mod:`Bio.Align` objects then you can
run your alignment with :class:`Bio.Alig.PairwiseAligner` as ::
import Bio.Align.PairwiseAligner
aligner = Bio.Align.PairwiseAligner(
mode="global",
match_score=match_score,
mismatch_score=mismatch_penalty,
open_gap_score=gap_penalty,
extend_gap_score=gapextension_penalty)
aln = aligner.align(reference.residues.sequence(format="Seq"),
mobile.residues.sequence(format="Seq"))
# choose top alignment with highest score
topalignment = aln[0]
The ``topalignment`` is a :class:`Bio.Align.PairwiseAlignment` instance
that can be used in your bioinformatics workflows.
Is your feature request related to a problem? Please describe. https://github.com/MDAnalysis/mdanalysis/issues/3950 deprecates align.sequence_alignment() and schedules it for removal for MDA 3.0. Therefore, there will remain no code that directly generates a pairwise alignment from two AtomGroups.
Describe the solution you'd like Document the actual code that's currently in the function (see also the new Notes in the docs (after PR https://github.com/MDAnalysis/mdanalysis/pull/3951 is merged):
The code is short and provides more flexibility to the user. We should have a short UG page that shows some basic interoperability with biopythons
Bio.align
module and mention howResidueGroup
can directly provide sequences as input for functions/classes in Bio.align.Describe alternatives you've considered Do nothing...
Additional context This is the restructured text that could be used directly for a UG entry: