Markush enumeration

Hi ,

I am trying to just do an enumeration without any reaction type involved in KNIME. I tried using the markush enumeration node for it and i did not get what i expected. All though, i am confuse about the input parameter for the node itself.  How do i define R1,R2, etc group.

Eg :- KNIME workflow:-

 

1) Marvin Sketch (draw structure with define R groups and attachment points ) >>>> Markush enumeration (it reads only the main scaffold) , Hence forth i am getting ony same output as input.

I am also not able to use MolImporter node. I want to read .mrv file, but when i click for browse file, it does not open any dialogue box.

Thank you.

Kuldeep 

Hi Kuldeep,

Basically, input data should be the same structure for Markush enumeration tool on MarvinSketch.
I attached example workflow.
Could you please check it?

FYI:
In versions 2.3.4.v0124, R-groups are not visible in Marvin Renderer of KNIME by default.
Please refer "File > Preferece" menu and "KNIME > Marvin > Marvin Renderer Option" category.
We have just released new JChem / Marvin Extensions 2.4.1.v0125.
In new versions, R-groups are visible by default.

In terms of MolImporter problem:
This problem is an error by the dependence of Marvin Extension 2.4.1v0125 (ChemAxon library 5.5.1.0) and JChem Extensions 2.3.4.v0124.
It is available for download at https://www.infocom.co.jp/bio/knime/update/2.4 />Please download and update the JChemExtensions after updating the Marvin Extensions which is available on KNIME update site.

I deeply apologize for the trouble and thank you for your patience.

Best,
Taka