本文整理汇总了Python中ParmedTools.ParmedActions.printdihedrals方法的典型用法代码示例。如果您正苦于以下问题：Python ParmedActions.printdihedrals方法的具体用法？Python ParmedActions.printdihedrals怎么用？Python ParmedActions.printdihedrals使用的例子？那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类ParmedTools.ParmedActions的用法示例。
在下文中一共展示了ParmedActions.printdihedrals方法的1个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的Python代码示例。
示例1: printdihedrals
# 需要导入模块: from ParmedTools import ParmedActions [as 别名]
# 或者: from ParmedTools.ParmedActions import printdihedrals [as 别名]
def printdihedrals(root, amber_prmtop, messages):
""" Prints dihedrals containing atoms from a given mask """
# We need a mask, new radius, new epsilon, and for chamber topologies,
# a new radius-1-4 and epsilon-1-4. Don't add the latter ones until we
# know if we have a chamber prmtop or not.
widget_list = [('MaskEntry', 'Atoms to analyze for dihedrals')]
# We need 5 string variables, then get the description.
var_list = [StringVar()]
desc = 'Prints all dihedrals containing at least 1 atom in the given mask'
# Create the window, open it, then wait for it to close
cmd_window = _guiwidgets.ActionWindow('printDihedrals', amber_prmtop,
widget_list, var_list, desc)
cmd_window.wait_window()
# See if we got any variables back
var = var_list[0].get()
if not var: return
try:
action = ParmedActions.printdihedrals(amber_prmtop, ArgumentList(var))
except Exception, err:
showerror('Unexpected Error!', '%s: %s' % (type(err).__name__, err))
return