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Re: [modeller_usage] restrains.make_distance function
- To: Mariana GONZALEZ MEDINA <mariana.gonzalez-medina AT pasteur.fr>, "modeller_usage@listsrv.ucsf.edu" <modeller_usage@listsrv.ucsf.edu>
- Subject: Re: [modeller_usage] restrains.make_distance function
- From: Modeller Caretaker <modeller-care@ucsf.edu>
- Date: Thu, 27 Feb 2020 14:12:19 -0800
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
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