def set_sample_points(self, sample_factor = 1./4) :
sample_spacing = sample_factor*self.resolution
base = {}
rn = self.residue.resname.strip().upper()
if rn in ['DA', 'DG'] :
base['C2'] = self.xyz.C2
base['N1'] = self.xyz.N1
base['C6'] = self.xyz.C6
elif rn in ['DT', 'DC'] :
base['N3'] = self.xyz.C2
base['C4'] = self.xyz.N1
base['C5'] = self.xyz.C6
self.sample_points = box_base.get_points_around_base(base,rn,sample_spacing)
def set_sample_points(self, sample_factor=1. / 4):
sample_spacing = sample_factor * self.resolution
base = {}
rn = self.residue.resname.strip().upper()
if rn in ['DA', 'DG']:
base['C2'] = self.xyz.C2
base['N1'] = self.xyz.N1
base['C6'] = self.xyz.C6
elif rn in ['DT', 'DC']:
base['N3'] = self.xyz.C2
base['C4'] = self.xyz.N1
base['C5'] = self.xyz.C6
self.sample_points = box_base.get_points_around_base(
base, rn, sample_spacing)
def set_sample_points(self, sample_factor = 1./4) :
sample_spacing = sample_factor*self.resolution
base = {}
# print self.get_string_id()
rn = self.res_type.strip().upper()
if rn in ['DA', 'DG'] :
base['C2'] = self.xyz.C2
base['N1'] = self.xyz.N1
base['C6'] = self.xyz.C6
# test_points is where we test for positive density when looking for
# potential decoys.
tp = box_base.get_test_points(base,rn,sample_spacing)
vars(self.xyz)['test_1'] = tp.point_1
vars(self.xyz)['test_2'] = tp.point_2
elif rn in ['DT', 'DC'] :
base['N3'] = self.xyz.C2
base['C4'] = self.xyz.N1
base['C5'] = self.xyz.C6
self.sample_points = box_base.get_points_around_base(base,rn,sample_spacing)
def set_sample_points(self, sample_factor=1. / 4):
sample_spacing = sample_factor * self.resolution
base = {}
# print self.get_string_id()
rn = self.res_type.strip().upper()
if rn in ['DA', 'DG']:
base['C2'] = self.xyz.C2
base['N1'] = self.xyz.N1
base['C6'] = self.xyz.C6
# test_points is where we test for positive density when looking for
# potential decoys.
tp = box_base.get_test_points(base, rn, sample_spacing)
vars(self.xyz)['test_1'] = tp.point_1
vars(self.xyz)['test_2'] = tp.point_2
elif rn in ['DT', 'DC']:
base['N3'] = self.xyz.C2
base['C4'] = self.xyz.N1
base['C5'] = self.xyz.C6
self.sample_points = box_base.get_points_around_base(
base, rn, sample_spacing)
