Hey Dan,
I just tried redownloading the sdf from here:
http://dtp.nci.nih.gov/branches/dscb/natprod_explanation2.html
and I get this file
http://dtp.nci.nih.gov/branches/dscb/natprod_ii_aug11.sdf which seems to be
the same one as before.
Is this indeed the latest one?
I just want to make sure s
On Aug 11, 2011, at 2:21 PM, David Flicker wrote:
> Thanks for all the help.
>
> I redownloaded the Diversity Set II, the Natural Products Set II, and the FDA
> approved oncology drugs sets from the DTP website. It seems that only the
> Natural Products one has a bad SDF and returns the bond c
Thanks for all the help.
I redownloaded the Diversity Set II, the Natural Products Set II, and the
FDA approved oncology drugs sets from the DTP website. It seems that only
the Natural Products one has a bad SDF and returns the bond count error.
However, both of the FDA approved SDF's cause OpenB
On Aug 10, 2011, at 8:24 PM, Geoff Hutchison wrote:
>
> On Aug 10, 2011, at 7:36 PM, Craig A. James wrote:
>
>> Sometimes you get this problem if your file has a mixture of Windows (CRLF)
>> line endings and Unix/Linix (LF only) line endings. The files look fine in
>> a text editor, but actu
On Aug 10, 2011, at 7:36 PM, Craig A. James wrote:
> Sometimes you get this problem if your file has a mixture of Windows (CRLF)
> line endings and Unix/Linix (LF only) line endings. The files look fine in a
> text editor, but actually have extra line endings that the editor suppresses.
In pr
On 8/10/11 1:29 PM, DavidFlicker wrote:
> Hello,
>
> I just downloaded the NCI Natural Products Set II sdf file and I cannot get
> OpenBabel to convert it to any format.
>
> I get this error:
> ==
> *** Open Babel Warning in OpenBabel::MDLFormat::ReadMolecule
>WARNI
Hello,
I just downloaded the NCI Natural Products Set II sdf file and I cannot get
OpenBabel to convert it to any format.
I get this error:
==
*** Open Babel Warning in OpenBabel::MDLFormat::ReadMolecule
WARNING: Problems reading a MDL file
Cannot read atom and bond
