Commit d7c190a8 authored by peastman's avatar peastman
Browse files

yapf

parent 0882178f
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+6 −2
Original line number Diff line number Diff line
@@ -285,11 +285,15 @@ class VinaPoseGenerator(PoseGenerator):
      out_pdbqt = os.path.join(out_dir, "%s_docked.pdbqt" % ligand_name)
      logger.info("About to call Vina")
      if platform.system() == 'Windows':
        args = [self.vina_cmd, "--config", conf_file, "--log", log_file, "--out", out_pdbqt]
        args = [
            self.vina_cmd, "--config", conf_file, "--log", log_file, "--out",
            out_pdbqt
        ]
      else:
        # I'm not sure why specifying the args as a list fails on other platforms,
        # but for some reason it only works if I pass it as a string.
        args = "%s --config %s --log %s --out %s" % (self.vina_cmd, conf_file, log_file, out_pdbqt)
        args = "%s --config %s --log %s --out %s" % (self.vina_cmd, conf_file,
                                                     log_file, out_pdbqt)
      call(args, shell=True)
      ligands, scores = vina_utils.load_docked_ligands(out_pdbqt)
      docked_complexes += [(protein_mol[1], ligand) for ligand in ligands]