|
GetHydrogenBondDonors
This class allows user to get AtomSets of sp2 hydridized and sp3 hybridized hydrogenBond Donors able.
|
|
GetHydrogenBondAcceptors
This class allows user to get AtomSets of sp2 hydridized and sp3 hybridized
hydrogenBond Acceptors.
|
|
GetHydrogenBondEnergies
This class allows user to get a list of energies of HydrogenBonds.
|
|
ShowHBDonorsAcceptors
This class allows user to show AtomSets of HydrogenBond donors and acceptors.
|
|
ShowHydrogenBonds
This class allows user to visualize pre-existing HydrogenBonds between ...
|
|
BuildHydrogenBondsGUICommand
This class provides Graphical User Interface to BuildHydrogenBonds which is invoked by it.
|
|
BuildHydrogenBonds
This command finds hydrogen donor atoms within 2.4*percentCutoff angstrom distance of hydrogen acceptor atoms.
|
|
AddHBondHydrogensGUICommand
This class provides Graphical User Interface to AddHBondHydrogens
which is invoked by it.
|
|
AddHBondHydrogens
This command adds hydrogen atoms to preexisting hydrogen bonds...
|
|
LimitHydrogenBonds
This class allows user to detect pre-existing HydrogenBonds with energy values
'lower' than a designated cutoff.
|
|
DisplayHBonds
Base class to allow user to visualize pre-existing HydrogenBonds between ...
|
|
DisplayHBondsAsSpheres
This class allows user to visualize pre-existing HydrogenBonds between ...
|
|
DisplayHBondsAsCylinders
This class allows user to visualize pre-existing HydrogenBonds between ...
|
|
ExtrudeHydrogenBonds
This class allows user to visualize pre-existing HydrogenBonds between ...
|
|
WriteAssemblyHBonds
Command to write a file specifying >1 chain with hydrogen bonds.
|
|
WriteIntermolHBonds
Command to write files specifying intermolecular hydrogen bonds...
|
|
ReadIntermolHBonds
Command to read files specifying intermolecular hydrogen bonds...
|
|
AddHBondCommandGUICommand
GUI command wrapper for AddHBondCommand which allows user to add hbonds between selected atoms.
|
|
AddHBondCommand
AddHBondCommand allows user to add hydrogen bonds between pairs of atoms.
|
|
RemoveHBondCommandGUICommand
RemoveHBondCommandGUICommand allows user to remove hbonds between
picked atoms.
|
|
RemoveHBondCommand
RemoveHBondCommand allows user to remove hydrogen bonds between specified
atoms.
|
|
sp2Donors = ['Nam', 'Ng+', 'Npl']
|
|
sp3Donors = ['N3+', 'O3', 'S3']
|
|
allDonors = ['Nam', 'Ng+', 'Npl', 'N3+', 'O3', 'S3']
|
|
sp2Acceptors = ['O2', 'O-', 'Npl', 'Nam']
|
|
sp3Acceptors = ['S3', 'O3']
|
|
allAcceptors = ['O2', 'O-', 'Npl', 'Nam', 'S3', 'O3']
|
|
a_allAcceptors = ['aO2', 'aO-', 'aNpl', 'aNam', 'aS3', 'aO3']
|
|
ShowHBDonorsAcceptorsGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Buil...
|
|
ShowHBDonorsAcceptorsGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
ShowHydrogenBondsGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Disp...
|
|
ShowHydrogenBondsGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
BuildHydrogenBondsGUICommandGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Buil...
|
|
BuildHydrogenBondsGUICommandGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
AddHBondHydrogensGUICommandGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Buil...
|
|
AddHBondHydrogensGUICommandGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
LimitHydrogenBondsGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Edit...
|
|
LimitHydrogenBondsGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
DisplayHBondsAsSpheresGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Disp...
|
|
DisplayHBondsAsSpheresGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
DisplayHBondsAsCylindersGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Disp...
|
|
DisplayHBondsAsCylindersGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
ExtrudeHydrogenBondsGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Disp...
|
|
ExtrudeHydrogenBondsGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
WriteAssemblyHBondsGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Asse...
|
|
WriteAssemblyHBondsGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
WriteIntermolHBondsGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Asse...
|
|
WriteIntermolHBondsGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
ReadIntermolHBondsGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Asse...
|
|
ReadIntermolHBondsGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
AddHBondGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Edit...
|
|
AddHBondCommandGUICommandGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
RemoveHBondGuiDescr = {'menuBarName': 'menuRoot', 'menuCascadeName': 'Edit...
|
|
RemoveHBondCommandGUICommandGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...
|
|
commandList = [{'gui': None, 'cmd': self., 'name': 'getHBDonors'},...
|
|
n = 'O3'
|