'gui': AutoRootGUI }, # {'name':'AD41tors_addChainToRootGC','cmd':AddChainToRootGUICommand(), # 'gui':AddChainToRootGUICommandGUI}, # {'name':'AD41tors_addChainToRoot','cmd':AddChainToRoot(),'gui':None}, # {'name':'AD41tors_removeChainFromRootGC','cmd':RemoveChainFromRootGUICommand(), # 'gui':RemoveChainFromRootGUICommandGUI}, # {'name':'AD41tors_removeChainFromRoot','cmd':RemoveChainFromRoot(),'gui':None}, { 'name': 'AD41tors_markRoot', 'cmd': MarkRoot(), 'gui': MarkRootGUI }, { 'name': 'AD41tors_showRootSphere', 'cmd': TogglerootSphere(), 'gui': TogglerootSphereGUI }, { 'name': 'AD41tors_defineRotBonds', 'cmd': DefiningRotatableBonds(), 'gui': DefiningRotatableBondsGUI }, { 'name': 'AD41tors_limitTorsionsGC', 'cmd': SetTorsionNumberGUICommand(), 'gui': SetTorsionNumberGUICommandGUI }, ## {'name':'AD41tors_changePlanarCarbonsToA','cmd':CheckAromatic(), ## 'gui':CheckAromaticGUI}, ## {'name':'AD41tors_changeAromaticCarbonsToC','cmd':StopCheckAromatic(),
{'name':'AD41tors_rigidLigand','cmd':RigidMolecule4(), 'gui':RigidMolecule41GUI}, {'name':'AD41tors_automaticLigandFormatting','cmd':AutoAutoTors(), 'gui':AutoAutoTorsGUI}, # {'name':'AD41tors_writeRef','cmd':AtorsRefWriter(), # 'gui':AtorsRefWriterGUI}, {'name':'AD41tors_setRoot','cmd':SelectRoot(),'gui':SelectRootGUI}, {'name':'AD41tors_autoRoot','cmd':AutoRoot(),'gui':AutoRootGUI}, # {'name':'AD41tors_addChainToRootGC','cmd':AddChainToRootGUICommand(), # 'gui':AddChainToRootGUICommandGUI}, # {'name':'AD41tors_addChainToRoot','cmd':AddChainToRoot(),'gui':None}, # {'name':'AD41tors_removeChainFromRootGC','cmd':RemoveChainFromRootGUICommand(), # 'gui':RemoveChainFromRootGUICommandGUI}, # {'name':'AD41tors_removeChainFromRoot','cmd':RemoveChainFromRoot(),'gui':None}, {'name':'AD41tors_markRoot','cmd':MarkRoot(),'gui':MarkRootGUI}, {'name':'AD41tors_showRootSphere','cmd':TogglerootSphere(), 'gui':TogglerootSphereGUI}, {'name':'AD41tors_defineRotBonds', 'cmd':DefiningRotatableBonds(), 'gui':DefiningRotatableBondsGUI }, {'name':'AD41tors_limitTorsionsGC','cmd':SetTorsionNumberGUICommand(), 'gui':SetTorsionNumberGUICommandGUI}, ## {'name':'AD41tors_changePlanarCarbonsToA','cmd':CheckAromatic(), ## 'gui':CheckAromaticGUI}, ## {'name':'AD41tors_changeAromaticCarbonsToC','cmd':StopCheckAromatic(), ## 'gui':StopCheckAromaticGUI}, {'name':'AD41tors_setCarbonNames','cmd':SetCarbonNames(), 'gui':SetCarbonNamesGUI}, {'name':'AD41tors_changePlanarityCriteria','cmd':ChangeAromaticCutOff(), 'gui':ChangeAromaticCutOffGUI}, {'name':'AD41tors_writeFormattedPDBQT','cmd':AUTOTORS4Writer(), 'gui':AUTOTORS41WriterGUI},