restrains.make_distance function
Hello,
I am trying to obtain the stereochemical restraints between Calphas in two of my templates. However, I am not sure how to set the parameter maximal_distance.
How do I chose the right distance to set the maximal distance between Calphas that I need to use to obtain the distance restraints?
Thank you!
Best,
Mariana
On 2/27/20 6:39 AM, Mariana GONZALEZ MEDINA wrote: > I am trying to obtain the stereochemical restraints between Calphas in > two of my templates. However, I am not sure how to set the parameter > maximal_distance. > > How do I chose the right distance to set the maximal distance between > Calphas that I need to use to obtain the distance restraints?
Normally you would not need to call make_distance() directly. automodel will do this automatically for you (for CA-CA distances it uses 14.0 angstroms by default, see max_ca_ca_distance in modlib/modeller/automodel/automodel.py). What is it you're trying to do?
Ben Webb, Modeller Caretaker
participants (2)
-
Mariana GONZALEZ MEDINA -
Modeller Caretaker