if t2RelaxTableTags.has_key(tagName):
if t2RelaxTableTags[tagName][i] != None:
setattr(self, attrName, t2RelaxTableTags[tagName][i])
else:
setattr(self, attrName, default)
# For completeness...
(self.seqCode, self.seqInsertCode) = getSeqAndInsertCode(self.seqCode)
###################
# Main of program #
###################
if __name__ == "__main__":
files = ['/homes/penkett/project/nmrstar/files/bmr15230_3_pub.str']
for file in files:
#file = os.path.join(getTopDirectory(), file)
nmrStarFile = NmrStarFile(file, version='3.1')
nmrStarFile.read(verbose=1)
for t2RelaxFile in nmrStarFile.t2RelaxFiles:
for t2Relax in t2RelaxFile.t2RelaxValues:
print t2Relax.Id, t2Relax.seqCode, t2Relax.resLabel, t2Relax.atomName, t2Relax.value, t2Relax.valueError, t2Relax.rexValue, t2Relax.rexValueError
#['../reference/ccpNmr/aartUtrecht/1byx/restraints.star','2.1.1'],
#['../reference/ccpNmr/aartUtrecht/1bct/restraints.star','2.1.1'],
#['../reference/ccpNmr/aartUtrecht/1d3z/restraints.star','2.1.1'],
#['../reference/ccpNmr/aartUtrecht/1bct/restraints.star','2.1.1'],
#['../reference/ccpNmr/aartUtrecht/1bsh/restraints.star','2.1.1'],
#['../reference/ccpNmr/aartUtrecht/1fht/restraints.star','2.1.1'],
#['../reference/ccpNmr/jurgenBmrb/1d8b/restraints.star','2.1.1']
#['../reference/ccpNmr/jurgenBmrb/1n8x/1n8x.str','3.0']
['../reference/ccpNmr/jurgenBmrb/1ao9/1ao9.str', '3.0']
]
for (file, version) in files:
file = os.path.join(getTopDirectory(), file)
nmrStarFile = NmrStarFile(file, version=version)
nmrStarFile.read(verbose=1)
for constraintFile in nmrStarFile.constraintFiles:
#print constraintFile.comments
for constraint in constraintFile.constraints:
print constraint.Id, constraint.name, constraint.lowerAngle, constraint.upperAngle
if constraint.errors:
print constraint.errors
for item in constraint.nodes:
mlist = []
for member in item.members: