Re: [Rdkit-discuss] RDKit 2016.03 Installation

2016-04-14 Thread Greg Landrum
Hi Matt, 2016.03 isn't quite there (we're still working out some compatibility things with older operating systems), but it should support a broad range of versions of each of those tools. Boost 1.60 is known to be problematic, so I'd avoid that. My primary development machine - and it's pretty s

Re: [Rdkit-discuss] RDKit 2016.03 Installation

2016-04-14 Thread Guillaume GODIN
Dear Matt, On my Mac 10.11 this config works fine: Boost 1.6 Cmake 3.5 Swig 3.0.8 BR Guillaume Envoyé de mon iPhone > Le 15 avr. 2016 à 01:40, Matthew Lardy a écrit : > > Hi all, > > Does someone know which version of boost, cmake, and swig seems to work best > for the current release?

[Rdkit-discuss] RDKit 2016.03 Installation

2016-04-14 Thread Matthew Lardy
Hi all, Does someone know which version of boost, cmake, and swig seems to work best for the current release? Thanks in advance! Matt -- Find and fix application performance issues faster with Applications Manager Applica

Re: [Rdkit-discuss] ring bond query

2016-04-14 Thread Yingfeng Wang
Greg, Thank you very much! Yingfeng On Thu, Apr 14, 2016 at 3:44 AM, Greg Landrum wrote: > Hi, > > Though it seems the below code works, it is a bit more complicated than it > needs to be. > ROMols and RWMols provide a simple way to loop over their bonds > > http://rdkit.org/docs/cppapi/classR

Re: [Rdkit-discuss] ring bond query

2016-04-14 Thread Greg Landrum
Hi, Though it seems the below code works, it is a bit more complicated than it needs to be. ROMols and RWMols provide a simple way to loop over their bonds http://rdkit.org/docs/cppapi/classRDKit_1_1ROMol.html#a423358faf2fe8433523432753e92d314 There's an analogous call for the atoms: http://rdkit