Markus,
In newer versions of RDKit there is a handy method:
d = mol.GetPropsAsDict()
which returns a python dictionary of all the sd data by default. It also
has a nice feature that it converts numeric values to proper python
numbers. This can be used as a python dictionary:
for prop,value i
Dear Markus,
you may check if the key exists before trying to retrieve its value with
the HasProp() method.
Cheers,
p.
On 12/07/2016 17:10, Markus Metz wrote:
Dear all:
I spend some time searching the rdkit website and its mailing list.
But I was not able to find anything regarding my issu
Dear all:
I spend some time searching the rdkit website and its mailing list. But I
was not able to find anything regarding my issue. I am a newbie. So bear
with me if this is a FAQ.
I am trying to extract the properties for molecules from an sd file.
This worked fine with the id.
But not so for
3 matches
Mail list logo
