Thank you very much!
On Wed, Apr 22, 2015 at 5:41 AM, Greg Landrum greg.land...@gmail.com wrote:
Got it. The problem is now fixed.
Thanks for reporting it!
-greg
On Tue, Apr 21, 2015 at 5:33 PM, Michał Nowotka mmm...@gmail.com wrote:
Hi Greg,
I would expect to have:
SMILES Name
Michal,
What do you expect to get for the molecule from the CTAB? In the example
below, it does not have anything in the first line, which is the one that's
used to populate the _Name attribute.
-greg
On Tue, Apr 21, 2015 at 4:32 PM, Michał Nowotka mmm...@gmail.com wrote:
Hi,
Imagine I
Hi Greg,
I would expect to have:
SMILES Name
c1c1 0
instead of
SMILES Name
c1c1
Note, that for SMILES there is also no place to specify a name but if
I create a mol object from SMILES I will get the desired output.
On Tue, Apr 21, 2015 at 4:20 PM, Greg Landrum greg.land...@gmail.com
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