def _read_averages(self, fname):
fl = open(fname)
for line in fl:
tokens = line.split()
if not tokens[0].isdigit():
continue
resno = int(tokens[0]) + self.offset
check_residue(resno, tokens[1])
phi, psi, dphi, dpsi = map(lambda a: 2 * pi * float(a) / 360.0, tokens[2:6])
num = int(tokens[8])
if num == 0:
continue
self.add_mean_datum(resno, num, (phi, dphi), (psi, dpsi))
def _read_averages(self, fname):
fl = open(fname)
for line in fl:
tokens = line.split()
if not tokens[0].isdigit():
continue
resno = int(tokens[0]) + self.offset
check_residue(resno, tokens[1])
phi, psi, dphi, dpsi = [2 * pi * float(a) / 360. for a in tokens[2:6]]
num = int(tokens[8])
if num == 0:
continue
self.add_mean_datum(resno, num, (phi, dphi), (psi, dpsi))
def _read_one_residue(self, fname):
fl = open(fname)
resno = int(os.path.basename(fname)[3:6]) + self.offset
phi = []
psi = []
for line in fl:
tokens = line.split()
if len(tokens) < 1:
continue
if tokens[1] == "RESNAMES":
check_residue(self.sequence[resno], tokens[3])
continue
if not tokens[0].isdigit():
continue
if float(tokens[4]) < 0.999 and not self.keep_all:
continue
phi.append(float(tokens[1]) * 2 * pi / 360.0)
psi.append(float(tokens[2]) * 2 * pi / 360.0)
self.add_full_datum(resno, phi, psi)
def _read_one_residue(self, fname):
fl = open(fname)
resno = int(os.path.basename(fname)[3:6]) + self.offset
phi = []
psi = []
for line in fl:
tokens = line.split()
if len(tokens) < 1:
continue
if tokens[1] == 'RESNAMES':
check_residue(self.sequence[resno], tokens[3])
continue
if not tokens[0].isdigit():
continue
if float(tokens[4]) < 0.999 and not self.keep_all:
continue
phi.append(float(tokens[1]) * 2 * pi / 360.)
psi.append(float(tokens[2]) * 2 * pi / 360.)
self.add_full_datum(resno, phi, psi)
def _read_predAll(self, fname):
fl = open(fname)
resno = -1
for line in fl:
tokens = line.split()
if len(tokens) == 0 or not tokens[0].isdigit():
continue
oldresno = resno
resno = int(tokens[1]) + self.offset
if resno != oldresno:
if oldresno != -1:
self.add_full_datum(resno, phi, psi)
phi = []
psi = []
resname = tokens[2][1]
check_residue(self.sequence[resno], resname)
if float(tokens[6]) < 0.999 and not self.keep_all:
continue
phi.append(float(tokens[3]) * 2 * pi / 360.0)
psi.append(float(tokens[4]) * 2 * pi / 360.0)
def _read_predAll(self, fname):
fl = open(fname)
resno = -1
for line in fl:
tokens = line.split()
if len(tokens) == 0 or not tokens[0].isdigit():
continue
oldresno = resno
resno = int(tokens[1]) + self.offset
if resno != oldresno:
if oldresno != -1:
self.add_full_datum(resno, phi, psi)
phi = []
psi = []
resname = tokens[2][1]
check_residue(self.sequence[resno], resname)
if float(tokens[6]) < 0.999 and not self.keep_all:
continue
phi.append(float(tokens[3]) * 2 * pi / 360.)
psi.append(float(tokens[4]) * 2 * pi / 360.)
