Matchmaker for specific selections

[Tristan Croll]

Working on adding reference model-based restraints to ISOLDE - I have the implementations for distance (see ​https://twitter.com/CrollTristan/status/1113122594616741890) and torsion-based restraints in place, and code to apply them based on 1:1 matching Residues arrays... but not the code to actually create good matching arrays outside of the case where template and model are identical in sequence and complete. All the building blocks are there in MatchMaker, but it's currently written to only take whole models as input where I'd need to specify exactly the fragments to align. I can hack my own bespoke implementation based on your code if necessary, but I would imagine that there are many other cases where the user might want to specify exactly which segment(s) of search model and/or target they want to align.

[pett]

Maybe I'm misunderstanding something, but the matchmaker command already allowing the matching to be restricted to a certain set of residues, with the 'domain_residues' keyword offering the corresponding functionality in the match() command.

Did you want them to not actually move? Is that the issue? You could reverse-apply the transformation matrix in that case.

[tic20@…]

Ack! Sounds like just my failure to RTFM.
 

 

[pett]

Okay, win-win. :-)