本文整理匯總了Python中ParmedTools.ParmedActions.changeradii方法的典型用法代碼示例。如果您正苦於以下問題：Python ParmedActions.changeradii方法的具體用法？Python ParmedActions.changeradii怎麽用？Python ParmedActions.changeradii使用的例子？那麽, 這裏精選的方法代碼示例或許可以為您提供幫助。您也可以進一步了解該方法所在類ParmedTools.ParmedActions的用法示例。
在下文中一共展示了ParmedActions.changeradii方法的1個代碼示例，這些例子默認根據受歡迎程度排序。您可以為喜歡或者感覺有用的代碼點讚，您的評價將有助於係統推薦出更棒的Python代碼示例。
示例1: changeradii
# 需要導入模塊: from ParmedTools import ParmedActions [as 別名]
# 或者: from ParmedTools.ParmedActions import changeradii [as 別名]
def changeradii(root, amber_prmtop, messages):
""" Allows users to change the GB Radius set """
title = 'Choose a Radius Set'
desc = ('Select a radius set for implicit solvent\n' +
'calculations. This has the same effect as\n' +
'"set default PBRadii <value>" in tleap')
radius_selection = StringVar()
namelist = ['bondi', 'mbondi', 'mbondi2', 'mbondi3', 'amber6']
cmd_window = _guiwidgets.RadioButtonWindow(
amber_prmtop, title, desc, radius_selection, namelist)
# Wait until the window is destroyed, then get the variable and pass it
# over to the class
cmd_window.wait_window()
sel = str(radius_selection.get())
if sel:
action = ParmedActions.changeradii(amber_prmtop, ArgumentList(sel))
messages.write('%s\n' % action)
action.execute()