[Rdkit-discuss] Molecules alignment broken in rdkit 2016 ?

[Fabrice C. <car...@gm...>]

Dear rdkit users,

I suspect a bug in AllChem.AlignMol() for some rdkit version.
Try to run this notebook http://nbviewer.jupyter.org/
gist/greglandrum/4316435/Working%20in%203D.ipynb
input [25] : AllChem.AlignMol(m2,m1,atomMap=zip(match2,match1)) seem to be
broken for me in rdkit 2016.03 and 2016.09 python3.4/3.5 and raise
"ValueError: sequence does not support length query"
Note that it work well in rdkit 2015.09.2 python2.7

Did you have a solution ?

Thanks

Fabrice Carles - PhD student
Structural Bioinformatics & Chemoinformatics
University of Orleans - France