I have many others examples where I have found overlapping. Even rings
overlap in some of them.
It will be nice if it will be fixed for next realize.
Best Regards
Adrian
2012/6/20 Greg Landrum <greg.land...@gmail.com>:
> Dear Adrian,
>
> On Tue, Jun 19, 2012 at 9:19 AM, Adrian Jasiński
> <jasinski.adr...@gmail.com> wrote:
>>
>> I have some problem with drawing. When I draw molecules using RDkit
>> sometimes I have some structure overlap.
>> But when I draw it using for example marvin it's look fine.
>>
>> There is some example code:
>>
>> from rdkit import Chem
>> from rdkit.Chem import Draw
>> mol = Chem.MolFromSmiles('CC(=O)Nc1ccccc1C(=O)C1CCCC1C1CCCCC1')
>> Draw.MolToFile(mol,'test.png')
>>
>> In attachment I added example image.
>
> Thanks for reporting the problem. That's definitely a bug in the depiction
> code.
>
>>
>> I'm using Ubuntu 12.04 x64.
>>
>> Is there any solution?
>
> There is not at the moment an easy one. I will take a look at your
> specific molecule and see if I can fix the problem for the next
> release.
>
> Best Regards,
> -greg
------------------------------------------------------------------------------
Live Security Virtual Conference
Exclusive live event will cover all the ways today's security and
threat landscape has changed and how IT managers can respond. Discussions
will include endpoint security, mobile security and the latest in malware
threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
