[Rdkit-discuss] RDKIT installation issue on Centos 5.6

2012-07-19 Thread Fabian Dey
Dear all, I am having difficulties installing RDKIT on a Centos 5.6 (with python bindings). I compiled and installed the latest numpy, boost and cmake version from their sources (I had also tried using the versions available through yum - which are quite old compared to the most

[Rdkit-discuss] pharmacophore align

2012-07-19 Thread Taka Seri
Dear all. I have some questions about Pharmacophore. I want to align molecules that from SDF files, by Pharmacophore. At first, I set Pharmacophore by using EmbedPharmacophore() method. And checked molecules by EmbedPharmacophore() method. Then, generated 3D structures by EmbedPharmacophore()

Re: [Rdkit-discuss] RDKIT installation issue on Centos 5.6

2012-07-19 Thread Paul Emsley
On 19/07/12 13:28, Fabian Dey wrote: Dear all, I am having difficulties installing RDKIT on a Centos 5.6 (with python bindings). I compiled and installed the latest numpy, boost and cmake version from their sources (I had also tried using the versions available through yum - which are

Re: [Rdkit-discuss] RDKIT installation issue on Centos 5.6

2012-07-19 Thread JP
On 19 July 2012 14:56, Paul Emsley paul.ems...@bioch.ox.ac.uk wrote: On 19/07/12 13:28, Fabian Dey wrote: I am having difficulties installing RDKIT on a Centos 5.6 (with python bindings). Who hasn't? I have installed RDKit on centos 5.0 and 5.1 and it wasn't a pleasure filled

Re: [Rdkit-discuss] RDKIT installation issue on Centos 5.6

2012-07-19 Thread Gianluca Sforna
On Thu, Jul 19, 2012 at 4:32 PM, JP jeanpaul.ebe...@inhibox.com wrote: Who hasn't? I have installed RDKit on centos 5.0 and 5.1 and it wasn't a pleasure filled experience mostly due to the outdated (prehistoric, rather) packages. But they weren't at release time :) If you pick any release of