Re: [modeller_usage] multimeric model and loop refinement
To: sdimicco <>
Subject: Re: [modeller_usage] multimeric model and loop refinement
From: Modeller Caretaker <>
Date: Fri, 16 Nov 2012 11:10:46 -0800
Cc:
On 11/16/2012 03:00 AM, sdimicco wrote:
I am trying to built a multimeric model. I would like to if I have to
use restraints symmetry to model it.
No, just add symmetry restraints if you want it to be symmetrical.
Obviously this would only make sense if all the subunits are identical.
Moreover, i would like to built a model with all hydrogens and to refine
loop automatically. How can I do that? I am trying to use allh model and
loop model in the same script, but without success.
You can't do that because the loop modeling potential doesn't include
parameters for hydrogen. It doesn't really make sense anyway, because
adding hydrogens roughly doubles the number of atoms in the system and
so roughly quadruples the compute time, for no real increase in accuracy.