vermouth.processors.idr_cross_domain_interaction_removal module

class vermouth.processors.idr_cross_domain_interaction_removal.IDRCrossDomainInteractionRemoval(go, elastic, id_regions)[source]

Bases: Processor

Parameters:

  • go (bool) – this system contains a go model

  • elastic (bool) – this system contains an elastic network

  • id_regions (list) – list of tuples of residue regions defining the IDRs

remove_cross_elastic(molecule)[source]

Remove elastic network bonds between folded and disordered regions of a molecule

Parameters:
remove_cross_nb_interactions(molecule, res_graph, nbparams)[source]

Remove Go interactions between folded and disordered regions of a molecule

Parameters:
run_system(system)[source]