hi,
I am facing the same problem (in windows 7)
Installed rdkit in miniconda by following command
conda install -c https://conda.anaconda.org/rdkit rdkit
by conda list command it is showing
*rdkit 2015.09.2 np110py27_0 rdkit*
but with
from rdkit import rdBase
print rdBase.rdkitVersion
I am getting
2014.09.2
Kind Regards
Shaikh Naeem Attari
Ph.D. Candidate, Department of Pharmacoinformatics
National Institute of Pharmaceutical Education and Research (NIPER)
S.A.S. Nagar, India. +91 7814727792
in.linkedin.com/in/naeemraza25/
On 15 January 2016 at 16:35, Joos Kiener <[email protected]> wrote:
> Hi all,
>
> I wanted to try put the new conformer generation code using anaconda
> install and ipython notebook.
>
> Therefore I update the installation with following command:
>
> *conda update -c https://conda.anaconda.org/rdkit
> <https://conda.anaconda.org/rdkit> rdkit*
>
> This updated several other dependencies. I I now run the command again it
> says:
>
>
>
>
>
>
> *C:\Anaconda>conda update -c https://conda.anaconda.org/rdkit
> <https://conda.anaconda.org/rdkit> rdkitFetching package metadata: ......#
> All requested packages already installed.# packages in environment at
> C:\Anaconda:#rdkit 2015.09.2 np110py27_0
> rdkit*
>
> However when I try to run the new code according to
>
> http://sourceforge.net/p/rdkit/mailman/message/34650697/
>
> eg:
>
> AllChem.EmbedMultipleConfs(mol, useExpTorsionAnglePrefs=True,
> useBasicKnowledge=True)
>
>
>
> I get an ArgumentError:
>
> ArgumentError: Python argument types in
> rdkit.Chem.rdDistGeom.EmbedMultipleConfs(Mol)
> did not match C++ signature:
>
> And the C++ signature does not contain these 2 new flags.
>
> Also running
>
> from rdkit import rdBase
> rdBase.rdkitVersion
>
> returns
>
> '2015.03.1'
>
> My conclusion is that the package on conda is in fact still the old version?
> Note: this is for windows 32-bit.
>
> Or am I missing something?
>
>
> Best Regards,
>
> Joos Kiener
>
>
>
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