Hi Greg,
This is probably pretty straightforward.
You were correct there!
In order to build the cartridge you need to have $RDBASE pointing to the
directory containing the RDKit source distribution
(/usr/local/Cellar/rdkit/2012.03.1 in the example above from Hans). You're
looking for the
Why does it need an update? The RDKit is available in ubuntu in revs 12.04
and later. It's just not always the most up-to-date RDKit (debian packages
are rarely the most up-to-date)
-greg
On Wed, May 15, 2013 at 10:58 AM, JP jeanpaul.ebe...@inhibox.com wrote:
Merci Greg,
This needs an
Merci Greg,
This needs an update then:
https://github.com/rdkit/rdkit/blob/master/Docs/Book/Install.rst
Ubuntu 12.04 and later
On 15 May 2013 04:49, Greg Landrum greg.land...@gmail.com wrote:
Hi JP,
On Tue, May 14, 2013 at 3:43 PM, JP jeanpaul.ebe...@inhibox.com wrote:
On:
oopppsss sorry, you are right ...
On 15 May 2013 10:33, Greg Landrum greg.land...@gmail.com wrote:
Why does it need an update? The RDKit is available in ubuntu in revs 12.04
and later. It's just not always the most up-to-date RDKit (debian packages
are rarely the most up-to-date)
-greg
Hi Greg,
For the following molecule when I draw it shows a cyclic structure.
testm = Chem.MolFromSmarts('[N:1][C@@H:2]([OH1:3])\[CH1:4]=[CH1:5]/[C@H
:6]([N:8])[OH1:7]')
But when I check the atoms/bonds for ring information it returns False. For
example,
for a in testm.GetAtoms():
...:
Never mind, I just did something really silly!
Thanks
Sabrina
*Syeda Sabrina*
*Graduate Assistant*
*25, Fenske Laboratory*
*Department of Chemical Engineering, Penn State University*
*University Park, PA*
*
*
On Wed, May 15, 2013 at 4:54 PM, Syeda Sabrina sus364...@gmail.com wrote:
Hi Greg,
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