Re: [Rdkit-discuss] SetProp question

[Axel P. <axe...@gm...>]

It is "SetProp" with a capital "S".

Kind regards,
Axel

On 07.04.2017 11:30, François-Régis Chalaoux 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(',','.')---> 
> 10Chem.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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