Split a database

Just to make it clear for future visitors:

You can make the flow variable ports of a node visible by right clicking on the node and selecting the “Show Flow Variable Ports” option.

flow%20ports

:blush:

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Here is the workflow that I understood. But the SDF writter nodes always writes to the same file.

Bcl_Flow_csv_sdf_2.knwf (37.1 KB)

loop_example.knwf (158.5 KB)

:blush:

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Thank you for these corrections but I do not know if it is when I enter the files but I do not have a list of files out

Sorry I do not understand. Would you please explain your current issue again?

:blush:

Just to take a step back: always ask the why question.
Why do you want to have one sdf per compound?
Sdf’s are the ideal format to store multiple compounds (millions if you want) plus accompanying data.

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Hi :slight_smile:

I started from molecules written in SMILES in a .csv (1 row for 1 molecule) file that I should had to convert into an .sdf file to study them with molecular visualization software. Finally I went to the OpenBabel website http://www.cheminfo.org/Chemistry/Cheminformatics/FormatConverter/index.html

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