def __init__(self, cell, symmetry, sg_number, dmin, dmax, columns,
filename):
assert isinstance(columns[0], tuple)
Cell.__init__(self, cell, symmetry)
self.sg_number = sg_number
self.dmin = dmin
self.dmax = dmax
assert dmin >= dmax # yes, min > max here
self.columns = OrderedDict(columns)
self.filename = filename
def __init__(self, cell, symmetry, sg_number, dmin, dmax, columns,
filename):
assert isinstance(columns[0], tuple)
Cell.__init__(self, cell, symmetry)
self.sg_number = sg_number
self.dmin = dmin
self.dmax = dmax
assert dmin >= dmax # yes, min > max here
self.columns = OrderedDict(columns)
self.filename = filename
def __init__(self, cryst1_line):
assert cryst1_line.startswith("CRYST1")
a = float(cryst1_line[6:15])
b = float(cryst1_line[15:24])
c = float(cryst1_line[24:33])
alpha = float(cryst1_line[33:40])
beta = float(cryst1_line[40:47])
gamma = float(cryst1_line[47:54])
symmetry = cryst1_line[55:66].strip()
Cell.__init__(self, (a, b, c, alpha, beta, gamma), symmetry)
self.has_hetatm_x = None
def __init__(self, cryst1_line):
assert cryst1_line.startswith('CRYST1')
a = float(cryst1_line[6:15])
b = float(cryst1_line[15:24])
c = float(cryst1_line[24:33])
alpha = float(cryst1_line[33:40])
beta = float(cryst1_line[40:47])
gamma = float(cryst1_line[47:54])
symmetry = cryst1_line[55:66].strip()
Cell.__init__(self, (a, b, c, alpha, beta, gamma), symmetry)
self.has_hetatm_x = None
def __init__(self, entry):
Cell.__init__(self, entry[2:8], symmetry=entry[1])
self.pdb_id = entry[0]
self.uniprot_src = entry[8] # we may have a homolog of uniprot entry
def __init__(self, entry):
Cell.__init__(self, entry[2:8], symmetry=entry[1])
self.pdb_id = entry[0]
self.uniprot_src = entry[8] # we may have a homolog of uniprot entry
