[modeller_usage] problem with modelling a non-template helix
To:
Subject: [modeller_usage] problem with modelling a non-template helix
From: "Renée Vancraenenbroeck" <>
Date: Tue, 25 Oct 2005 17:37:21 +0200
dear modellers,
I've come to the problem where I have to elongate a helix but the
template is absent, I've tried to restrain it into a helixconformation
using the following script wich I found in the archive, however it
doesn't seem to make any difference. What am I doing wrong?
renée vancraenenbroeck
from modeller.automodel import *
# Redefine the special_restraints routine to include the secondary
# structure restraints (this routine is empty by default):
class mymodel(automodel):
def special_restraints(self, aln):
rsr = self.restraints
# An alpha-helix:
rsr.make(aln, restraint_type='ALPHA', residue_ids=
('133', '139'),
spline_on_site=False)
# This is as usual:
log.verbose()
env = environ()
a = automodel(env, alnfile='Lrrk2-mult5.ali',
knowns=('2aedA','1byuA'), sequence='Lrrk2roc')
a.starting_model = 1
a.ending_model = 5
a.make()