Re: [Rdkit-discuss] Windows 10 conda build fails

2017-03-06 Thread Greg Landrum
Hi Bob, On Tue, 7 Mar 2017 at 02:21, Bob Funchess wrote: > I am trying to build the latest version of RDKit with Anaconda3-2.5.0 and > it’s failing with the following error: > I will try to look into the specific problem over h next few days, but a quick one: do you need

[Rdkit-discuss] Windows 10 conda build fails

2017-03-06 Thread Bob Funchess
Hi All, I am trying to build the latest version of RDKit with Anaconda3-2.5.0 and it’s failing with the following error: Creating library pyAvalonTools.lib and object pyAvalonTools.exp pyAvalonTools.cpp.obj : error LNK2019: unresolved external symbol "class ExplicitBitVect const volatile

Re: [Rdkit-discuss] delete a substructure

2017-03-06 Thread Chenyang Shi
Hongbin and Greg, Thank you both for kind suggestions. I will try both approaches and report my progress later. Best, Chenyang On Monday, March 6, 2017, Greg Landrum wrote: > The solution that Hongbin proposes to the double-counting problem is a > good one. Just be sure