Re: [Bkchem-user] Find files containing fragment

[Beda Kosata]

Hello,

it could be that you use two different ways to draw quinoline - BKChem 
might not properly process the aromatic nature of the compound and takes 
quinoline drawn with a double bond as the one that belongs to both rings 
as different from the version where the two rings share a single bond (I 
hope this makes sense).
Try to use an exact copy of quinoline from the file to see if it works 
for you. Otherwise I have no idea why it does not work :(

Cheers

Beda



On 02/22/2011 09:58 AM, Balázs Attila wrote:
> Hello,
>
> I'm manually created a quinoline molecule in the folder.
> I tryed search a benzene ring, it is working. After try a pyridine ring
> it is working too. But quinoline results is zero.
>
> Best,
> Attila
>
> 2011. február 22. 8:58 Beda Kosata írta, <address@hidden
> <mailto:address@hidden>>:
>
>     Hello,
>
>     did you try something simpler, such as benzene ring? Is there really
>     a file with the searched fragment inside the searched folder?
>
>     Best regards
>
>     Beda
>
>
>     On 02/21/2011 03:54 PM, Balázs Attila wrote:
>
>         Hello!
>
>         I can not use the function, I tryed to search quinoline ring,
>         but gave
>         no results. Any Idea what is the problem? Bkchem 0.14 pre 2.
>
>         Best,
>         Attila Balázs
>
>
>
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