At the moment we use multimodel biounits in all algorithms related to quaternary structure. That is an issue for multimodel structures (e.g. NMR or some X-rays) where the multiple models would be taken as extra subunits when they aren't.
Biojava can produce flattened biounits since #490, i.e. symmetry partners are expanded as new chains with new chain ids. I'd advocate moving to flattened biounits for the 5.0 release. We'd need to make all quaternary structure code compatible with that (simply by not looking at all models). I would then keep the possibility of producing biounits as multiple models but without using them internally.
Anything against that?
At the moment we use multimodel biounits in all algorithms related to quaternary structure. That is an issue for multimodel structures (e.g. NMR or some X-rays) where the multiple models would be taken as extra subunits when they aren't.
Biojava can produce flattened biounits since #490, i.e. symmetry partners are expanded as new chains with new chain ids. I'd advocate moving to flattened biounits for the 5.0 release. We'd need to make all quaternary structure code compatible with that (simply by not looking at all models). I would then keep the possibility of producing biounits as multiple models but without using them internally.
Anything against that?