Commit 1a7833c4 authored by Bharath Ramsundar's avatar Bharath Ramsundar
Browse files

Merge pull request #104 from arose/patch-1 

Adjusted selection strings to work with NGL
parents 1884dd06 e9f1dec8

deepchem/utils/visualization.py

+2 −2
Original line number Diff line number Diff line
@@ -26,10 +26,10 @@ def visualize_complex(complex_mdtraj): 
  "sele": "protein", "color": "residueindex"

  } },

  { "type": "licorice", "params": {

  "sele": "(not hydrogen) and (resi (%s))" %  binding_pocket_residues

  "sele": "(not hydrogen) and (%s)" %  binding_pocket_residues

  } },

  { "type": "ball+stick", "params": {

  "sele": "resn LIG"

  "sele": "LIG"

  } }

  ]

  return ngltraj

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