Open olibclarke opened 1 year ago
For the moment, you can add your own restraints, either directly in a Python script or via a file with the ProSMART restraints format.
coot.add_extra_bond_restraint_py()
coot.add_refmac_extra_restraints()
Yes, this is an option - I have done it this way in the past.
3-10 helices are 10% of all helices (more in membrane proteins - e.g. the S4 helix of the voltage sensing domain of every Kv/Nav/Cav channel is 3-10), and at medium resolution can be difficult to model.
Inbuilt restraints for them would be very helpful. Alternatively, some kind of adaptive helical restraint that could accommodate alpha helices, 3-10 helices and pi bulges would be even better