Hello,

You likely downloaded the version of ChemBuild without the CCPN libraries included.  There is also a version with the CCPN libraries included, and that is what you should use.  It's the second download at:

http://www.ccpn.ac.uk/downloads/leadingedge

Wayne

On 17 Apr 2014, at 14:25, venus singh wrote:

Hi,

I constructed my molecule using ChemBuild, but when i try to export its "CCPN ChemComp XML file, it shows an error message saying "cannot export CCPN ChemComp XML file, CCPN code not set".

Venus

Venus Singh Mithu,

Assistant Professor,

Chemistry department,

Guru Nanak Dev University,

Amritsar-143005, Punjab, India.

On Thu, Apr 17, 2014 at 6:50 PM, Wayne Boucher <[log in to unmask]> wrote:

Hello,

About the only software that exists (well, that I know of!) is ChemBuild.  Could you say a bit more what didn't work in ChemBuild (off list if the data is sensitive)?

Wayne

On 17 Apr 2014, at 14:11, venus singh wrote:

> Hi,
>
> I have been trying to find out a way of adding a small organic molecule into ccpnmr. The "molecules" section shows an option of importing an external XML file. Can you suggest some software to generate XML files for any molecule. I tried ChemBuild, but it didn't work.
>
> Regards,
>
> Venus
>