[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [modeller_usage] restrains.make_distance function



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
--
             https://salilab.org/modeller/
Modeller mail list: https://salilab.org/mailman/listinfo/modeller_usage