[Rdkit-discuss] UGM 2017 details

2017-06-12 Thread Fabrice Carles
Hi all, Could you give us more detail about the UGM 2017 in Berlin? For example details about schedules of each day ? Sincerly Fabrice Fabrice Carles - PhD student Structural Bioinformatics & Chemoinformatics, Institut de Chimie Organique et Analytique (ICOA) University of Orleans - Fr

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

2017-03-25 Thread Fabrice Carles
ip(match2,match1))) -greg On Fri, Mar 24, 2017 at 3:34 PM, Fabrice Carles <carlesfabr...@gmail.com> wrote: > Dear rdkit users, > > I suspect a bug in AllChem.AlignMol() for some rdkit version. > Try to run this notebook http://nbviewer.jupyter.org/gi > st/greglandrum/431643

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

2017-03-24 Thread Fabrice Carles
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 Or