Hi,
when I try to set a new property, existing or not, in an Mol objet I got
the following message:
I Use rdkit through myChembl.
rdBase.rdkitVersion
'2015.03.1'
------------------------------
ma = []
for m in mols:
if m.HasProp("Notebook"):
evoid = m.GetProp("Notebook")
print evoid
print "-------------"
if m.HasProp("TRPM4IC50"):
b = m.GetProp("TRPM4IC50")
bb = b.replace(',','.')
Chem.m.setProp("TRPM4IC50", bb)
try:
if float(bb) < 10:
ma.append(m)
except ValueError:
print "Could not convert data to an integer."
w = Chem.SDWriter('serie1/serie1_actifs.sdf')
for j in ma: w.write(j)
EV-AR8099-020
-------------
---------------------------------------------------------------------------AttributeError
Traceback (most recent call
last)<ipython-input-122-e906ae9d4c90> in <module>() 8 b =
m.GetProp("TRPM4IC50") 9 bb = b.replace(',','.')---> 10
Chem.rdchem.Mol.setProp("TRPM4IC50", bb) 11 try:
12 if float(bb) < 10:
AttributeError: type object 'Mol' has no attribute 'setProp'
----------------------------
What is the solution to set a property ?
Cheers, FRC.
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