Marvin Sketcher Multiple Molecules

#1

Hi,

Thanks for the release of the Marvin Sketcher which is really nice and user friendly to use. Are there any plans to allow multiple molecule output from the node.

i.e. You can draw a molecule, add it to a list, then add another molecule, add it to the list, etc. Then when you run the node, you get all the molecules listed down a row ?

Simon.

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#2

Hi Simon,

There is the SplitIntoFragments node in the JChem Extensions which is a commercial product.
The node can split input molecule (for instance, from MarvinSketch) into each row as fragment.

We will discuss internally to expand the free Marvin Extensions in the future.

Best,
Taka
 

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#3

Thanks for the information, even so, it would get quite messy in the sketcher if you want to sketch in around 20 or so molecules.

Ideally you would want to draw a single molecule, click a button to add it to a list, then modify the structure, and add this second molecule to a list, and so on. Then when the node is run, this list of molecules is shown on each row in the output table.

Thanks

Simon.

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#4

Hi Simon,

Thank you for your feedback.
I will try to implement the feature into MarvinSketch.

Best,
Taka

 

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