Beispiel #1
0
 def amino(self, location):
     out = copy.deepcopy(PDB_operations.aminoacid(self.pbb))
     fixedLocation = copy.deepcopy(location)
     if self.sign == '-':
         fixedLocation.reverseOrbs()
     T = vector.Tlist(out[0].boundarycompute()[0:3],fixedLocation.ev())
     out.rotate(T[0])
     if self.sign == "-":
         out.signchange()
     return out
Beispiel #2
0
def userDefinedAminoAcid(filePath, symbol, abbrv = []):
    if abbrv == []:
        abbrv = symbol
    PDB_operations.userDefinedAminoAcid(filePath, symbol, abbrv)
Beispiel #3
0
 def length(self):
     out = PDB_operations.aminoacid(self.pbb)
     return out[0].boundarycompute()[3]