本文整理匯總了Python中ParmedTools.ParmedActions.printbonds方法的典型用法代碼示例。如果您正苦於以下問題：Python ParmedActions.printbonds方法的具體用法？Python ParmedActions.printbonds怎麽用？Python ParmedActions.printbonds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.printbonds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: printbonds
# 需要導入模塊: from ParmedTools import ParmedActions [as 別名]
# 或者: from ParmedTools.ParmedActions import printbonds [as 別名]
def printbonds(root, amber_prmtop, messages):
""" Prints bonds 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 bonds')]
# We need 5 string variables, then get the description.
var_list = [StringVar()]
description='Prints all bonds containing at least 1 atom in the given mask'
# Create the window, open it, then wait for it to close
cmd_window = _guiwidgets.ActionWindow('printBonds', amber_prmtop,
widget_list, var_list, description)
cmd_window.wait_window()
# See if we got any variables back
var = var_list[0]
if not var.get(): return
try:
action = ParmedActions.printbonds(amber_prmtop, ArgumentList(var.get()))
except Exception, err:
showerror('Unexpected Error!', '%s: %s' % (type(err).__name__, err))
return