vermouth.processors.annotate_idrs module¶
Provides processors that can add and remove IDR specific bonds
- class vermouth.processors.annotate_idrs.AnnotateIDRs(id_regions=None)[source]¶
Bases:
Processor
Processor to annotate intrinsically disordered regions of a molecule.
This processor is designed primarily for the work described in the reference M3_GO, but is generally applicable for such circumstances where extra addition/removals are necessary.
- Parameters:
id_regions – regions defining the IDRs
- run_system(system)[source]¶
Assign the water bias of the Go model to file. Biasing is always molecule specific i.e. no two different vermouth molecules can have the same bias.
- Parameters:
system (
vermouth.system.System
)
- vermouth.processors.annotate_idrs.annotate_disorder(molecule, id_regions, annotation='cgidr')[source]¶
Annotate the disordered regions of the molecule
- molecule:
vermouth.molecule.Molecule
the molecule
- idr_regions: list
list of tuples defining the resids of the idrs in the molecule
- annotation: str
name of the annotation in the node
- molecule: