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align-it_​pharmacophore_​generator_​no_​problem

New ! Manually edited javasnippet file to stop default behavior of generating HybridpharmacophoresAlign-it docmenttation shows option --NoHybrid will output distinct PharmacophoresModify the code in the Java Snippet Args builder to be e.g.// Enter your code here:out_args = new String[]{"align-it","--dbase=" + c_input_fn,"--pharmacophore=" + c_output_fn,"--noHybrid","-q"}; Node 3703Node 3704Node 3705Node 3706Node 3707Node 3708Node 3710Node 3711now has --NoHybrid optionNode 3721 align-it: Pharmacophoregenerator PharmacophoresViewer RDKit GenerateCoords RDKit From Molecule MarvinSketch RDKit To Molecule Table Creator RowID Joiner align-it: Pharmacophoregenerator PharmacophoresViewer New ! Manually edited javasnippet file to stop default behavior of generating HybridpharmacophoresAlign-it docmenttation shows option --NoHybrid will output distinct PharmacophoresModify the code in the Java Snippet Args builder to be e.g.// Enter your code here:out_args = new String[]{"align-it","--dbase=" + c_input_fn,"--pharmacophore=" + c_output_fn,"--noHybrid","-q"}; Node 3703Node 3704Node 3705Node 3706Node 3707Node 3708Node 3710Node 3711now has --NoHybrid optionNode 3721 align-it: Pharmacophoregenerator PharmacophoresViewer RDKit GenerateCoords RDKit From Molecule MarvinSketch RDKit To Molecule Table Creator RowID Joiner align-it: Pharmacophoregenerator PharmacophoresViewer

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Created by: giovanni
Created at: 2020-06-09
On NodePit since: 2022-02-06
Last update: 2024-11-24
Created with KNIME version: v4.1.3

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