Hi Samuel,
On Sun, Jul 20, 2014 at 12:08 AM, <[email protected]> wrote:
>
> I tried to run the following code but I got the error message:
>
> AttributeError: 'module' object has no attribute 'ConvertToNumpyArray'
>
> The code is shown below:
>
> def NumpyArrays(fplist):
> nlist = []
> for fp in fplist:
> arr = numpy.zeros((1,), numpy.float32)
> DataStructs.ConvertToNumpyArray(fp, arr)
> nplist.append(arr)
> return nlist
>
> np_fps_act = NumpyArrays(fps_act)
>
>
Which version of the RDKit are you using? You can find out like this:
from rdkit import rdBase
print rdBase.rdkitVersion
ConvertToNumpyArray was added at the end of 2012.
-greg
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