def build_suites(self):
"""Tries different combinations of starting angles."""
log.write_message(".. trying %i different suite torsion combinations."\
%(len(TORSIONS)-1))
for torsions in TORSIONS[1:]:
self.run_fccd(torsions=torsions, threshold=0.2, \
maxit=100)
phosb = PhosphateBuilder(self.resi1, self.resi2)
phosb.add_op12()
if self.is_intact(): return
def build_fccd(self):
"""Tries to remodel a suite without O3'."""
log.write_message(".. remodeling suite between O3' and C4'.")
self.run_fccd()
phosb = PhosphateBuilder(self.resi1, self.resi2)
phosb.add_op12()