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Thomas KThomas K 

Reporting: Displaying two different chemical structures in the same pipeline.

Hi, 

I would like to display two different chemical structures, that are within the same data record, in a table row through a HTML report viewer. For example, I start with a SMILES string and I input this into the pipeline that will produce a different SMILES string at the end. I then feed this result into a table and display it through the HTML report viewer. I would like to display the starting molecule and the output molecule in the same row of the table, to be able to compare them.

I've been trying to use the 'Molecule from SMILES' coupled with the 'Image from data' component. The 'Molecule from SMILES displays the chemical structure under the 'Data Image' property when using the non-reporting HTML Table Viewer. I set the 'Image from Data' property location parameter to 'Data record' and put 'Data Image' in the property parameter but it doesn't seem to recognise it when I output it into a HTML report viewer.. When I set the 'Image from Data' property location parameter to 'Calculate', it works well, but only if one molecule is to be displayed in the pipeline. When I add a second set of these components to display the output molecule, it overwrites the previous input molecule and I end up with two images of the output molecule in the same table row (as described in the Help section of the Image from Data component).

Any way to avoid this overwriting or is there a way to have more control over the components? Any suggestions at all will be appreciated.

Many thanks!
Best Answer chosen by Thomas K
NamadevNamadev (BIOVIA) 
HI Thomas,
   You may be interested in looking at these two discussions for displaying two chemical structures in a row.

https://community.3dsbiovia.com/Communities_Topics?id=90650000000L7dVAAS
https://community.3dsbiovia.com/Communities_Topics?id=90650000000L6gkAAC

Hope this is useful to get started.
Best Regards,
Baskaran

All Answers

NamadevNamadev (BIOVIA) 
HI Thomas,
   You may be interested in looking at these two discussions for displaying two chemical structures in a row.

https://community.3dsbiovia.com/Communities_Topics?id=90650000000L7dVAAS
https://community.3dsbiovia.com/Communities_Topics?id=90650000000L6gkAAC

Hope this is useful to get started.
Best Regards,
Baskaran
This was selected as the best answer
Thomas KThomas K
Thank you so much Baskaran for pointing me towards those discussions! The first discussion provided the much needed answer. Such a relief, thank you!