本文整理匯總了Python中Biskit.Executor.prepare方法的典型用法代碼示例。如果您正苦於以下問題：Python Executor.prepare方法的具體用法？Python Executor.prepare怎麽用？Python Executor.prepare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Biskit.Executor的用法示例。
在下文中一共展示了Executor.prepare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: prepare
# 需要導入模塊: from Biskit import Executor [as 別名]
# 或者: from Biskit.Executor import prepare [as 別名]
def prepare( self ):
"""
Overrides Executor method.
"""
Executor.prepare( self )
self.__prepareFolder()
## if setGrid hasn't been called yet, create automatic grid
if not self.gsize:
self.setGrid()
if self.protonate:
reducer = Reduce( self.model, verbose=self.verbose,
autocap=self.autocap,
tempdir=self.tempdir, cwd=self.cwd,
log=self.log, debug=self.debug )
if self.verbose:
self.log.add('adding hydrogen atoms to input structure\n')
self.delphimodel = reducer.run()
else:
self.delphimodel = self.model.clone()
self.delphimodel.xplor2amber()
if not os.path.exists( self.f_charges ):
self.__prepareCharges( self.f_charges )
self.delphimodel.writePdb( self.f_pdb )