Re: [Rdkit-discuss] RPM distros

On 11/28/2017 12:42 AM, Tim Dudgeon wrote: > I see exactly the same when I build with those cmake args. Maybe you are missing some of the dependencies. I don't think the packages we create have all the dependency information: fonts-freefont-ttf, libboost-python1.58.0, libboost-regex1.58.0,

[Rdkit-discuss] suggestions for comprehensive searchable database of natural products

RDkit Discussion Group, My apologies in advance if my request is not appropriate for this discussion group. Given a small molecule that might have some resemblance to natural products, can someone suggest a free, comprehensive, PYTHON/RDkit searchable database of natural products

Re: [Rdkit-discuss] RPM distros

I see exactly the same when I build with those cmake args. On 27/11/2017 09:11, Francois BERENGER wrote: On 11/27/2017 06:01 PM, Tim Dudgeon wrote: I did: cmake -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_INSTALL_INTREE=OFF -DCMAKE_INSTALL_PREFIX=/usr/ .. Try this instead, just for the cmake part:

Re: [Rdkit-discuss] Stop bond highlights

Hi Greg, That's perfect. Thank you! Cheers, Nick On Fri, 24 Nov 2017, 16:40 Greg Landrum, wrote: > Hi Nick, > > When you import IPythonConsole it monkey patches the substructure function > so that it saves info about the results when you do a substructure search > on a

Re: [Rdkit-discuss] RPM distros

On 11/27/2017 06:01 PM, Tim Dudgeon wrote: > I did: > > cmake -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_INSTALL_INTREE=OFF > -DCMAKE_INSTALL_PREFIX=/usr/ .. Try this instead, just for the cmake part: cmake -Wno-dev \ -DRDK_INSTALL_INTREE=OFF \ -DRDK_BUILD_INCHI_SUPPORT=ON \

Re: [Rdkit-discuss] RPM distros

I did: cmake -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_INSTALL_INTREE=OFF -DCMAKE_INSTALL_PREFIX=/usr/ .. cpack -G DEB cpack -G RPM On 27/11/2017 00:05, Francois BERENGER wrote: Hello, What are the exact commands you used to configure and compile rdkit? The script in there is my best attempt: