How to generate pharmacophore model based on common features?
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How to generate pharmacophore model based on common features?
I have a group of active drug molecules, the sdf file is 5HT2c_ligands.sdf,this file Contains 6 compound molecules,I use command:" ./pharmit pharma -in 5HT2c_ligands.sdf -out 5HT2c.json" create Pharmacophore,then output file 5HT2c.json Contains 6 points。
In the output file, only pharmacophore features of each molecule in the input file are extracted, and no common features are extracted。
I need to create a pharmacophore model with common characteristics. How do I execute it?
The command you posted is identifying all the features on the ligand. If want only the interaction features you need to also specify the receptor. If you want some consensus pharmacophore derived from multiple ligands, you need to use some other software as pharmit doesn't do that.