[Rdkit-discuss] Can't import Chem from rdkit in Anaconda Python 3.6.5

2018-06-13 Thread Wandré
Hi all! I install the Anaconda 4.5.4 with Python 3.6.5 and install rdkit (with command "conda install -c rdkit rdkit") and I'm trying to import the Chem and does not works. from rdkit import Chem Traceback (most recent call last): File "", line 1, in File

Re: [Rdkit-discuss] Can't import Chem from rdkit in Anaconda Python 3.6.5

2018-06-13 Thread Greg Landrum
Hi, This looks like an error caused by the fact that the anaconda cairo builds include a dependency on the system X libraries and you don't have X installed. You can probably clear the problem up by installing the cairo build from the RDKit channel. Run this inside the conda environment where you

[Rdkit-discuss] New Drawing code: Fixed sized molecules

2018-06-13 Thread Thomas Strunz
When using the "new" drawing code according to http://rdkit.blogspot.com/2015/02/new-drawing-code.html I also want to be able to control the size of the molecule (not image) so if for example I have to depict multiple molecules smaller

Re: [Rdkit-discuss] Can't import Chem from rdkit in Anaconda Python 3.6.5

2018-06-13 Thread Greg Landrum
Note that my answer assumes that there is a reason that you don't have X11 installed on your linux box. If that's not the case, you should be able to fix things "more easily" by installing X On Wed, Jun 13, 2018 at 5:05 PM Greg Landrum wrote: > Hi, > > This looks like an error caused by the

Re: [Rdkit-discuss] Can't import Chem from rdkit in Anaconda Python 3.6.5

2018-06-13 Thread Dimitri Maziuk via Rdkit-discuss
On 6/13/2018 10:06 AM, Greg Landrum wrote: Note that my answer assumes that there is a reason that you don't have X11 installed on your linux box. If that's not the case, you should be able to fix things "more easily" by installing X Quite frankly, this is rapidly becoming unusable as a

Re: [Rdkit-discuss] Can't import Chem from rdkit in Anaconda Python 3.6.5

2018-06-13 Thread Dimitri Maziuk via Rdkit-discuss
On 06/13/2018 11:44 AM, Geoffrey Hutchison wrote: > > No, you can compile RDKit yourself if you don't want to use X11 features. You > wanted to install through conda, which has a set of packages for 'most use' - > YMMV. Sadly, MM does indeed V. On my box I can't, not without also compiling

Re: [Rdkit-discuss] Can't import Chem from rdkit in Anaconda Python 3.6.5

2018-06-13 Thread Wandré
Just run sudo apt-get install libxrender1 and it works Chris Earnshaw has send me a email with this tip. Thanks!!! -- Wandré Nunes de Pinho Veloso Professor Assistente - Unifei - Campus Avançado de Itabira-MG Doutorando em Bioinformática - Universidade Federal de Minas Gerais - UFMG Pesquisador

Re: [Rdkit-discuss] Can't import Chem from rdkit in Anaconda Python 3.6.5

2018-06-13 Thread Geoffrey Hutchison
>> Note that my answer assumes that there is a reason that you don't have X11 >> installed on your linux box. If that's not the case, you should be able to >> fix things "more easily" by installing X > > Quite frankly, this is rapidly becoming unusable as a software platform. I > need to

Re: [Rdkit-discuss] Can't import Chem from rdkit in Anaconda Python 3.6.5

2018-06-13 Thread Wandré
Great! -- Wandré Nunes de Pinho Veloso Professor Assistente - Unifei - Campus Avançado de Itabira-MG Doutorando em Bioinformática - Universidade Federal de Minas Gerais - UFMG Pesquisador do INSILICO - Grupo Interdisciplinar em Simulação e Inteligência Computacional - UNIFEI Membro do Grupo de

Re: [Rdkit-discuss] Can't import Chem from rdkit in Anaconda Python 3.6.5

2018-06-13 Thread Greg Landrum
On Wed, Jun 13, 2018 at 5:51 PM Dimitri Maziuk via Rdkit-discuss < rdkit-discuss@lists.sourceforge.net> wrote: > On 6/13/2018 10:06 AM, Greg Landrum wrote: > > Note that my answer assumes that there is a reason that you don't have > > X11 installed on your linux box. If that's not the case, you

Re: [Rdkit-discuss] Can't import Chem from rdkit in Anaconda Python 3.6.5

2018-06-13 Thread Dimitri Maziuk via Rdkit-discuss
On 06/13/2018 01:10 PM, Greg Landrum wrote: > You don't excerpt the earlier message where I explained how to get things > working without needing X installed. Was that not clear? If you don't want > to have X installed but would still like to use the conda builds, you can > just install the two