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.)