Hi,
Python is case sensitive, you need to do:
m.SetProp("TRPM4IC50", bb)
I hope this helps,
-greg
On Fri, Apr 7, 2017 at 2:30 AM, François-Régis Chalaoux <
chalaou...@gmail.com> wrote:
> 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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