Re: [Rdkit-discuss] Problems with the py3.5 conda package for Windows

2018-04-27 Thread Greg Landrum
It looks like this is actually due to a problem with the conda boost builds, not an RDKit problem, but I've replaced the binary anyway. As of right now, the version of the py-boost library available through the default conda channel for windows and python 3.5 (py-boost: 1.65.1-py35h6538335_4) does

[Rdkit-discuss] Problems with the py3.5 conda package for Windows

2018-04-27 Thread Greg Landrum
Dear all, There was a problem with the RDKit 2018.03.1 conda package for python 3.5 on Windows. I've removed that package and will try to get a new one up later today. For those who care: somehow one of the dependencies that was installed introduced a boost.python DLL that was looking for

Re: [Rdkit-discuss] RDKIT 2018.3 and MMPDB problem

2018-04-27 Thread Andrew Dalke
On Apr 27, 2018, at 00:20, Andrew Dalke wrote: > It does not appear that the .fragment files also need to be redone, so > rebuilding the .mmpdb file is mostly a matter of re-running the index step. I no longer think that is correct. While indexing will work, the