本文整理汇总了Python中atom.Atom.coordinates方法的典型用法代码示例。如果您正苦于以下问题：Python Atom.coordinates方法的具体用法？Python Atom.coordinates怎么用？Python Atom.coordinates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atom.Atom的用法示例。
在下文中一共展示了Atom.coordinates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: open
# 需要导入模块: from atom import Atom [as 别名]
# 或者: from atom.Atom import coordinates [as 别名]
###BEGIN HEAVY LIFTING###
#Read .pdb file and create Atom objects with corresponding data from file
with open(pdbFilename) as pdbFile:
pdbLines = pdbFile.readlines()
for line in pdbLines:
words = str.split(line)
if len(words) < 1:
pass
elif words[0] == "ATOM":
newAtom = Atom()
newAtom.resID = words[1]
newAtom.atomName = words[2]
newAtom.resName = words[3]
newAtom.coordinates = [words[5], words[6], words[7]]
newAtom.bFactor = words[9]
newAtom.tag = words[10]
atoms.append(newAtom)
#Read .out file add corresponding mode data from file to existing Atom objects
##This asssumes a very regular formatting after the first VIBRATION keyword.
##It will produce incorrect output if lines are malformed, or if
##the VIBRATION keyword's first appearance is not directly before mode data.
with open(modeFilename) as modeFile:
modeLines = modeFile.readlines()
currentModeNumber = 0
currentModeFrequency = 0.0
for line in modeLines: