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2016-4 Schrodinger Python API
Package schrodinger :: Package trajectory :: Module protliginteractionfinder
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Module protliginteractionfinder

Developed by Dmitry Lupyan

This class looks at protein-ligand geometric interaction

Classes [hide private]
  ProtLigInteractionFinder
A tool to find between two selections.
Functions [hide private]
 
getLigandFragments(ligand_st)
fragments the ligand in several fragments using the murcko rules.
Variables [hide private]
  __package__ = 'schrodinger.trajectory'
Function Details [hide private]

getLigandFragments(ligand_st)

 

fragments the ligand in several fragments using the murcko rules. returns the list of mappings


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2016-4 Schrodinger Python API
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