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src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/VisionInterface/Adt/Macro/PrepareReceptor.py   Pymol-script-repo(Download)
            CheckFileFormat_6.configure(function=code)
            apply(CheckFileFormat_6.configure, (), {'paramPanelImmediate': 1, 'expanded': False})
            from NetworkEditor.items import FunctionNode
            Pdb2pqrOpalService_ws_nbcr_net_7 = FunctionNode(functionOrString='Pdb2pqrOpalService_ws_nbcr_net', host="http://ws.nbcr.net/opal2", namedArgs={'noopt': False, 'phi': False, 'psi': False, 'verbose': True, 'chain': False, 'nodebump': False, 'chi': False, 'output_file': '', 'ligand': '', 'hbond': False, 'inFile': '', 'with_ph': '', 'forcefield': 'AMBER', 'clean': False, 'inId': '', 'apbs_input': False, 'ffout': '', 'localRun': False, 'rama': False, 'execPath': '', 'assign_only': False}, constrkw={'functionOrString': "'Pdb2pqrOpalService_ws_nbcr_net'", 'host': '"http://ws.nbcr.net/opal2"', 'namedArgs': {'noopt': False, 'phi': False, 'psi': False, 'verbose': True, 'chain': False, 'nodebump': False, 'chi': False, 'output_file': '', 'ligand': '', 'hbond': False, 'inFile': '', 'with_ph': '', 'forcefield': 'AMBER', 'clean': False, 'inId': '', 'apbs_input': False, 'ffout': '', 'localRun': False, 'rama': False, 'execPath': '', 'assign_only': False}}, name='Pdb2pqrOpalService_ws_nbcr_net', library=wslib)
            Pdb2pqrWS_3.macroNetwork.addNode(Pdb2pqrOpalService_ws_nbcr_net_7,99,115)
            CheckFileFormat_13.configure(function=code)
            apply(CheckFileFormat_13.configure, (), {'paramPanelImmediate': 1, 'expanded': False})
            from NetworkEditor.items import FunctionNode
            PrepareReceptorOpalService_ws_nbcr_net_14 = FunctionNode(functionOrString='PrepareReceptorOpalService_ws_nbcr_net', host="http://ws.nbcr.net/opal2", namedArgs={'C': False, 'url': '', 'o': '', 'r': '', 'v': False, 'localRun': False, 'execPath': ''}, constrkw={'functionOrString': "'PrepareReceptorOpalService_ws_nbcr_net'", 'host': '"http://ws.nbcr.net/opal2"', 'namedArgs': {'C': False, 'url': '', 'o': '', 'r': '', 'v': False, 'localRun': False, 'execPath': ''}}, name='PrepareReceptorOpalService_ws_nbcr_net', library=wslib)
            PrepareReceptorWS_10.macroNetwork.addNode(PrepareReceptorOpalService_ws_nbcr_net_14,180,128)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/VisionInterface/Adt/Macro/ComputeGrids.py   Pymol-script-repo(Download)
        try:
            ## saving node prepareGPF_kryptonite_nbcr_net ##
            from NetworkEditor.items import FunctionNode
            prepareGPF_kryptonite_nbcr_net_22 = FunctionNode(functionOrString='prepareGPF_kryptonite_nbcr_net', host="http://kryptonite.nbcr.net/opal2", namedArgs={'singlelib': '', 'r_url': '', 'zpoints': '', 'filter_file_url': '', 'lib': '', 'ypoints': '', 'filter_file': '', 'gpf': '', 'xcenter': 'auto', 'urllib': '', 'p': '', 'r': '', 'o': '', 'zcenter': 'auto', 'v': False, 'userlib': '', 'xpoints': '', 'localRun': False, 'ycenter': 'auto', 'execPath': ''}, constrkw={'functionOrString': "'prepareGPF_kryptonite_nbcr_net'", 'host': '"http://kryptonite.nbcr.net/opal2"', 'namedArgs': {'singlelib': '', 'r_url': '', 'zpoints': '', 'filter_file_url': '', 'lib': '', 'ypoints': '', 'filter_file': '', 'gpf': '', 'xcenter': 'auto', 'urllib': '', 'p': '', 'r': '', 'o': '', 'zcenter': 'auto', 'v': False, 'userlib': '', 'xpoints': '', 'localRun': False, 'ycenter': 'auto', 'execPath': ''}}, name='prepareGPF_kryptonite_nbcr_net', library=wslib)
            self.macroNetwork.addNode(prepareGPF_kryptonite_nbcr_net_22,217,141)
        try:
            ## saving node autogrid_kryptonite_nbcr_net ##
            from NetworkEditor.items import FunctionNode
            autogrid_kryptonite_nbcr_net_23 = FunctionNode(functionOrString='autogrid_kryptonite_nbcr_net', host="http://kryptonite.nbcr.net/opal2", namedArgs={'p_url': '', 'infile_url': '', 'l': 'output.glg', 'o': False, 'p': '', 'localRun': False, 'inFile': '', 'execPath': ''}, constrkw={'functionOrString': "'autogrid_kryptonite_nbcr_net'", 'host': '"http://kryptonite.nbcr.net/opal2"', 'namedArgs': {'p_url': '', 'infile_url': '', 'l': 'output.glg', 'o': False, 'p': '', 'localRun': False, 'inFile': '', 'execPath': ''}}, name='autogrid_kryptonite_nbcr_net', library=wslib)
            self.macroNetwork.addNode(autogrid_kryptonite_nbcr_net_23,251,292)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/VisionInterface/Adt/Macro/AutodockVsCSF.py   Pymol-script-repo(Download)
        try:
            ## saving node autodock_kryptonite_nbcr_net ##
            from NetworkEditor.items import FunctionNode
            autodock_kryptonite_nbcr_net_4 = FunctionNode(functionOrString='autodock_kryptonite_nbcr_net', host="http://kryptonite.nbcr.net/opal2", namedArgs={'ga_run': '', 'lib': '', 'filter_file_url': '', 'ga_num_evals': '', 'filter_file': '', 'sched': 'SGE', 'urllib': '', 'ga_num_generations': '', 'dpf': '', 'u': '', 'utar': '', 'userlib': '', 'ga_pop_size': '', 'localRun': False, 'email': '', 'execPath': ''}, constrkw={'functionOrString': "'autodock_kryptonite_nbcr_net'", 'host': '"http://kryptonite.nbcr.net/opal2"', 'namedArgs': {'ga_run': '', 'lib': '', 'filter_file_url': '', 'ga_num_evals': '', 'filter_file': '', 'sched': 'SGE', 'urllib': '', 'ga_num_generations': '', 'dpf': '', 'u': '', 'utar': '', 'userlib': '', 'ga_pop_size': '', 'localRun': False, 'email': '', 'execPath': ''}}, name='autodock_kryptonite_nbcr_net', library=wslib)
            self.macroNetwork.addNode(autodock_kryptonite_nbcr_net_4,217,132)
        try:
            ## saving node AutodockSlice_oolitevm_calit2_optiputer_net ##
            from NetworkEditor.items import FunctionNode
            AutodockSlice_oolitevm_calit2_optiputer_net_8 = FunctionNode(functionOrString='AutodockSlice_oolitevm_calit2_optiputer_net', host="http://oolitevm.calit2.optiputer.net/opal2", namedArgs={'execPath': '', 'localRun': False, 'divisor': '', 'lib': '', 'input_url': ''}, constrkw={'functionOrString': "'AutodockSlice_oolitevm_calit2_optiputer_net'", 'host': '"http://oolitevm.calit2.optiputer.net/opal2"', 'namedArgs': {'execPath': '', 'localRun': False, 'divisor': '', 'lib': '', 'input_url': ''}}, name='AutodockSlice_oolitevm_calit2_optiputer_net', library=wslib)
            self.macroNetwork.addNode(AutodockSlice_oolitevm_calit2_optiputer_net_8,200,240)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/VisionInterface/Adt/Macro/Vina.py   Pymol-script-repo(Download)
        try:
            ## saving node AutodockVina_Screening_kryptonite_nbcr_net ##
            from NetworkEditor.items import FunctionNode
            AutodockVina_Screening_kryptonite_nbcr_net_33 = FunctionNode(functionOrString='AutodockVina_Screening_kryptonite_nbcr_net', host="http://kryptonite.nbcr.net/opal2", namedArgs={'num_modes': '', 'energy_range': '', 'seed': '', 'receptor': '', 'size_y': '', 'size_z': '', 'out': '', 'log': '', 'urllib': '', 'exhaustiveness': '', 'localRun': False, 'flex': '', 'center_z': '', 'center_x': '', 'center_y': '', 'userlib': '', 'size_x': '', 'config': '', 'filter': '', 'ligand_db': '', 'cpu': '', 'execPath': ''}, constrkw={'functionOrString': "'AutodockVina_Screening_kryptonite_nbcr_net'", 'host': '"http://kryptonite.nbcr.net/opal2"', 'namedArgs': {'num_modes': '', 'energy_range': '', 'seed': '', 'receptor': '', 'size_y': '', 'size_z': '', 'out': '', 'log': '', 'urllib': '', 'exhaustiveness': '', 'localRun': False, 'flex': '', 'center_z': '', 'center_x': '', 'center_y': '', 'userlib': '', 'size_x': '', 'config': '', 'filter': '', 'ligand_db': '', 'cpu': '', 'execPath': ''}}, name='AutodockVina_Screening_kryptonite_nbcr_net', library=wslib)
            self.macroNetwork.addNode(AutodockVina_Screening_kryptonite_nbcr_net_33,217,185)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/VisionInterface/Adt/Macro/TrajQR.py   Pymol-script-repo(Download)
        try:
            ## saving node TrajQR_kryptonite_nbcr_net ##
            from NetworkEditor.items import FunctionNode
            TrajQR_kryptonite_nbcr_net_4 = FunctionNode(functionOrString='TrajQR_kryptonite_nbcr_net', host="http://kryptonite.nbcr.net/opal2", namedArgs={'license': False, 'rmsd': '', 'qh_filename': 'qh.tre', 'qr_filename': 'qr.out', 'compressed_pdbs': '', 'localRun': False, 'execPath': ''}, constrkw={'functionOrString': "'TrajQR_kryptonite_nbcr_net'", 'host': '"http://kryptonite.nbcr.net/opal2"', 'namedArgs': {'license': False, 'rmsd': '', 'qh_filename': 'qh.tre', 'qr_filename': 'qr.out', 'compressed_pdbs': '', 'localRun': False, 'execPath': ''}}, name='TrajQR_kryptonite_nbcr_net', library=wslib)
            self.macroNetwork.addNode(TrajQR_kryptonite_nbcr_net_4,279,135)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/VisionInterface/Adt/Macro/PrepareSingleLigand.py   Pymol-script-repo(Download)
        try:
            ## saving node PrepareLigandSingle_kryptonite_nbcr_net ##
            from NetworkEditor.items import FunctionNode
            PrepareLigandSingle_kryptonite_nbcr_net_21 = FunctionNode(functionOrString='PrepareLigandSingle_kryptonite_nbcr_net', host="http://kryptonite.nbcr.net/opal2", namedArgs={'A': '', 'C': False, 'B': '', 'ligand': '', 'g': False, 'F': False, 'I': '', 'M': False, 'p': '', 'R': '', 'U': '', 'v': False, 'Z': False, 'localRun': False, 'execPath': '', 'd': ''}, constrkw={'functionOrString': "'PrepareLigandSingle_kryptonite_nbcr_net'", 'host': '"http://kryptonite.nbcr.net/opal2"', 'namedArgs': {'A': '', 'C': False, 'B': '', 'ligand': '', 'g': False, 'F': False, 'I': '', 'M': False, 'p': '', 'R': '', 'U': '', 'v': False, 'Z': False, 'localRun': False, 'execPath': '', 'd': ''}}, name='PrepareLigandSingle_kryptonite_nbcr_net', library=wslib)
            self.macroNetwork.addNode(PrepareLigandSingle_kryptonite_nbcr_net_21,217,92)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/VisionInterface/Adt/Macro/GromosCluster.py   Pymol-script-repo(Download)
        try:
            ## saving node GROMOS_ClusterFiles_kryptonite_nbcr_net ##
            from NetworkEditor.items import FunctionNode
            GROMOS_ClusterFiles_kryptonite_nbcr_net_36 = FunctionNode(functionOrString='GROMOS_ClusterFiles_kryptonite_nbcr_net', host="http://kryptonite.nbcr.net/opal2", namedArgs={'expert_options': '', 'rmsd': '0.125', 'traj': '', 'prefix': '', 'default_options': '-o -g -dist -ev -sz -tr -ntr -clid -cl', 'active': '', 'localRun': False, 'method': 'gromos', 'execPath': ''}, constrkw={'functionOrString': "'GROMOS_ClusterFiles_kryptonite_nbcr_net'", 'host': '"http://kryptonite.nbcr.net/opal2"', 'namedArgs': {'expert_options': '', 'rmsd': '0.125', 'traj': '', 'prefix': '', 'default_options': '-o -g -dist -ev -sz -tr -ntr -clid -cl', 'active': '', 'localRun': False, 'method': 'gromos', 'execPath': ''}}, name='GROMOS_ClusterFiles_kryptonite_nbcr_net', library=wslib)
            self.macroNetwork.addNode(GROMOS_ClusterFiles_kryptonite_nbcr_net_36,200,98)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/VisionInterface/Adt/Macro/AutodockVS.py   Pymol-script-repo(Download)
        try:
            ## saving node autodock_kryptonite_nbcr_net ##
            from NetworkEditor.items import FunctionNode
            autodock_kryptonite_nbcr_net_13 = FunctionNode(functionOrString='autodock_kryptonite_nbcr_net', host="http://kryptonite.nbcr.net/opal2", namedArgs={'ga_run': '', 'lib': '', 'filter_file_url': '', 'ga_num_evals': '', 'filter_file': '', 'sched': 'SGE', 'urllib': '', 'ga_num_generations': '', 'dpf': '', 'u': '', 'utar': '', 'userlib': '', 'ga_pop_size': '', 'localRun': False, 'email': '', 'execPath': ''}, constrkw={'functionOrString': "'autodock_kryptonite_nbcr_net'", 'host': '"http://kryptonite.nbcr.net/opal2"', 'namedArgs': {'ga_run': '', 'lib': '', 'filter_file_url': '', 'ga_num_evals': '', 'filter_file': '', 'sched': 'SGE', 'urllib': '', 'ga_num_generations': '', 'dpf': '', 'u': '', 'utar': '', 'userlib': '', 'ga_pop_size': '', 'localRun': False, 'email': '', 'execPath': ''}}, name='autodock_kryptonite_nbcr_net', library=wslib)
            self.macroNetwork.addNode(autodock_kryptonite_nbcr_net_13,217,132)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/VisionInterface/Adt/Input/LocalLigandDirectory.py   Pymol-script-repo(Download)
        try:
            ## saving node LigandDBUpload_kryptonite_nbcr_net ##
            from NetworkEditor.items import FunctionNode
            LigandDBUpload_kryptonite_nbcr_net_5 = FunctionNode(functionOrString='LigandDBUpload_kryptonite_nbcr_net', host="http://kryptonite.nbcr.net/opal2", namedArgs={'username': '', 'userlib': '', 'password': '', 'localRun': False, 'execPath': '', 'desc': ''}, constrkw={'functionOrString': "'LigandDBUpload_kryptonite_nbcr_net'", 'host': '"http://kryptonite.nbcr.net/opal2"', 'namedArgs': {'username': '', 'userlib': '', 'password': '', 'localRun': False, 'execPath': '', 'desc': ''}}, name='LigandDBUpload_kryptonite_nbcr_net', library=wslib)
            self.macroNetwork.addNode(LigandDBUpload_kryptonite_nbcr_net_5,136,216)