Hello RDKit Users,
i am new to RDKit, think its feature set if very comprehensive, but have been
having trouble setting it up. I am on Mac OSX and am using the Anaconda
distribution. The ddc-homrew-rdkit does not work for anaconda because the
hombres recipe does not locate the python libraries. I recently came across the
https://code.google.com/p/rdkit/wiki/AnacondaBuild web page and am able to
*almost* get RDKit ups nd running. Heres my issue:
After following the directions on the AnacondaBuild webpage I configure my
.zshrc as follows (rdkit root is my homedirectory/rdkit ):
export PATH=/usr/local/bin:$PATH
export RDBase=/Users/zachpowers/rdkit/
export DYLD_LIBRARY_PATH=$RDBASE/lib
export PYTHONPATH=$PYTHONPATH:$RDBASE
export PATH=~/anaconda/bin:$PATH
When I try to load RDKit I encounter an error:
In [1]: from rdkit import Chem
---------------------------------------------------------------------------
ImportError Traceback (most recent call last)
<ipython-input-1-17d7acb427ab> in <module>()
----> 1 from rdkit import Chem
/Users/zachpowers/anaconda/python.app/Contents/lib/python2.7/site-packages/rdkit/Chem/__init__.py
in <module>()
16
17 """
---> 18 from rdkit import rdBase
19 from rdkit import RDConfig
20
ImportError:
dlopen(/Users/zachpowers/anaconda/python.app/Contents/lib/python2.7/site-packages/rdkit/rdBase.so,
2): Library not loaded: libRDGeneral.1.dylib
Referenced from:
/Users/zachpowers/anaconda/python.app/Contents/lib/python2.7/site-packages/rdkit/rdBase.so
Reason: image not found
I have tried changing the DYLD_Library and PYTHONPATH directories to include
the folders with libRDGeneral.1.dylib but am still running into trouble.
Has anyone run into this issue before and maybe could help me troubleshoot? I
look forward to trying out RDKit.
thanks,
zach cp
Zach Charlop-Powers
Post-Doctoral Fellow
Laboratory of Genetically Encoded Small Molecules
Rockefeller University
zchar...@rockefeller.edu<mailto:zchar...@rockefeller.edu>
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