Bingo - Chiral flag

[Mauro]

Hi,
I'm experiencing a strange behaviour with Bingo ver. 1.5 (on Linux
RHEL4 and Oracle 10.2.0.4).
Converting any molecule to Molfile the system introduces the Chiral
flag.

e.g. converting the smiles of a benzene:

SELECT bingo.molfile (BINGO.COMPACTMOLECULE ('c1ccccc1', 0))
FROM DUAL

returns:

-INDIGO-06081113232D

6 6 0 0 1 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0000 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 4 0 0 0 0
2 3 4 0 0 0 0
3 4 4 0 0 0 0
4 5 4 0 0 0 0
5 6 4 0 0 0 0
6 1 4 0 0 0 0
M END

With the Chiral flag set to 1

Could you help us?

Thanks in advance
Mauro

[Dmitry Pavlov]

Hi Mauro,

Thank you for the bug report.

> I'm experiencing a strange behaviour with Bingo ver. 1.5 (on Linux
> RHEL4 and Oracle 10.2.0.4).
> Converting any molecule to Molfile the system introduces the Chiral
> flag.
>
> e.g. converting the smiles of a benzene:
>

> With the Chiral flag set to 1

That bug (among many others) has been fixed in Bingo 1.6.
So I would recommend that you upgrade to 1.6 beta.

Best regards,

Dmitry

[Mauro]

Excellent!
I will plan the upgrade as soon as possible.

thank you for your quick response.