Commit 802afc03 authored by leswing's avatar leswing
Browse files

yapf

parent 22372146

deepchem/dock/pose_generation.py

+2 −2
Original line number Diff line number Diff line
@@ -157,8 +157,8 @@ class VinaPoseGenerator(PoseGenerator): 
    if not dry_run:

      print("About to call Vina")

      call(

          "%s --config %s --log %s --out %s" %

          (self.vina_cmd, conf_file, log_file, out_pdbqt),

          "%s --config %s --log %s --out %s" % (self.vina_cmd, conf_file,

                                                log_file, out_pdbqt),

          shell=True)

    # TODO(rbharath): Convert the output pdbqt to a pdb file.

CRA Git | Maintained and supported by SUSTech CRA and CCSE