how can we retrieve lone pairs from webservice?

Hi

Now that we can draw the lone pair electrons on Marvin JS, which is great BTW, I would like to retrieve the lone pair info with cxSMARTS as we do on Marvin Sketch.   The webservice does not include the "lp" options in the returning cxSMARTS string.  Can you let me know how I can do it?

Thanks,

Mayumi

Hi Mayumi,

I think, we would need more information to answer your question precisely.

I've checked this issue on our example page, where the web services are set:
https://marvinjs-demo.chemaxon.com/latest/examples/example-lonepair.html

and the exported ChemAxon Extended SMARTS source contained the "lp" information as well. (Picture attached.)

Could you confirm that you can get the information you need on this (example) page?
If not, could you give us a more detailed description about your workflow? 

Best Regards,

Eszter

Hi Eszter,

We used Marvin's exportAsMol() to retrieve the MOL string and then called molconvertws function to convert it to cxsmarts.  Since exportAsMol() did not contain the lone pair, we changed it to exportAsMrv(), then worked.  Thanks!

Mayumi

Hi Mayumi,

Thank you for the information.
I am glad to hear that the problem has been solved.

Please, do not hesitate to contact us if any further question arises. 

Best Regards,
Eszter