Desired feature/enhancement
Currently the dna-restraints.cns script (present in flexref emref mdref cgtoaa mdscoring) is only detecting base pairs and defining restraints for all atoms models. This should also be done for coarse-grained models.
Motivation
Ensure base pairing in CG mode
Description
Adapt the CNS script to automatically detect base pairs and define distance restraints.
Desired feature/enhancement
Currently the
dna-restraints.cnsscript (present inflexrefemrefmdrefcgtoaamdscoring) is only detecting base pairs and defining restraints for all atoms models. This should also be done for coarse-grained models.Motivation
Ensure base pairing in CG mode
Description
Adapt the CNS script to automatically detect base pairs and define distance restraints.