def checkCoplanar (Natom, l_atom, debug = 0):
"""Check if tertiary amine is coplanar
in: atom nitrogen
out: list atom"""
try: distance = calcul.coplanar(Natom, l_atom)
except: return 0
if debug == 1 : print distance, "planarity"
if distance >= 1.0:
return 1
else:
return 0
def CoplanarityIII (l_atom_lig) :
"""For each matrix connect N, C, C, C the coplanar distance
in: list atom in ligand, list distance coplar retrieve
out: append distance in list distance coplanar"""
l_out = []
l_serialN = searchPDB.ListSerialElement(l_atom_lig, "N")
for serialN in l_serialN:
l_atom_connect, conect_matrix = retrieveAtom.atomConnect(l_atom_lig, serialN)
if conect_matrix == ["N", "C", "C", "C"]:
dist = calcul.coplanar(l_atom_connect[0], l_atom_lig)
if dist != None :
l_out.append (str(dist))
return l_out
