Re: [Rdkit-discuss] cmake error building master

I've been building with 1.65.1 and 1.63, but I don't think I've tried 1.64 at all. I will take a look at the other problems tomorrow morning On Thu, Apr 19, 2018 at 8:12 PM, Jason Biggs wrote: > Greg, > I have boost version 1.64. I found reference to this error on the

Re: [Rdkit-discuss] cmake error building master

Greg, I have boost version 1.64. I found reference to this error on the web, always in reference to boost version 1.64. But what I don't see is whether this is fixed in later or previous versions. I forgot to include the first error I get, actually during the cmake stage, when it tries to

Re: [Rdkit-discuss] cmake error building master

Which version of boost is that? On Thu, 19 Apr 2018 at 19:34, Jason Biggs wrote: > Trying to build on Scientific Linux release 6.9, and I'm getting boost > serialization errors, both on the recent release branch and on master > > > In file included from >>

[Rdkit-discuss] cmake error building master

Trying to build on Scientific Linux release 6.9, and I'm getting boost serialization errors, both on the recent release branch and on master In file included from > base/Boost/include/boost/numeric/ublas/vector.hpp:21:0, > from

[Rdkit-discuss] optimised geometry

Hi, I am creating conformers and want to optimise them (MMFF94). Is it possible to extract the xyz coordinates or a z-matrix for the molecules afterwards? (I did find the Get3DDistanceMatrix method). Is the input for the MMFF94 the distance matrix? Thanks, Mariana