Package schrodinger :: Package application :: Package desmond :: Module fep_gui :: Class _McproProt

Class _McproProt

PyQt4.QtGui.QWidget --+
                      |
                     _McproProt

Frame for the second tab ("Plan Calculation") of the Mcpro GUIs.

Instance Methods

[hide private]

__init__(self, master, win)

menuModified(self, index)

fileEntryModified(self, val)

getProtocol(self)
Returns the string of the currently selected protocol file.

reset(self)

Class Variables

[hide private]

PNAME = ["MCPRO+", "User defined...",]

PINFO = [u"22 \u00C5 TIP3P water cap; ligand and protein side ...

PFILE = [os.path.join(MCPRO_DATA_DIR, "mcpro_fep.msj"),]

Class Variable Details

[hide private]

PINFO

Value:

[u"22 \u00C5 TIP3P water cap; ligand and protein side chains within 8 
\u00C5 of the ligand treated flexibly;\n" u"10M / 5M / 10M configurati
ons of solvent only / system equilibration / system averaging at 25 \u
00B0C.", "Specify the protocol file to use for FEP calculation.",]