本文整理汇总了Python中msmbuilder.Project.load_from_hdf方法的典型用法代码示例。如果您正苦于以下问题:Python Project.load_from_hdf方法的具体用法?Python Project.load_from_hdf怎么用?Python Project.load_from_hdf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msmbuilder.Project
的用法示例。
在下文中一共展示了Project.load_from_hdf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: ReadPermFile
# 需要导入模块: from msmbuilder import Project [as 别名]
# 或者: from msmbuilder.Project import load_from_hdf [as 别名]
)
parser.add_argument("output_dir", default="PDBs")
args = parser.parse_args()
if -1 in args.states:
print "Ripping PDBs for all states"
args.states = "all"
if args.conformations_per_state == -1:
print "Getting all PDBs for each state"
args.conformations_per_state = "all"
atom_indices = np.loadtxt(args.lprmsd_atom_indices, np.int)
assignments = Serializer.LoadData(args.assignments)
project = Project.load_from_hdf(args.project)
if args.lprmsd_permute_atoms == "None":
permute_indices = None
else:
permute_indices = ReadPermFile(args.lprmsd_permute_atoms)
if args.lprmsd_alt_indices == "None":
alt_indices = None
else:
alt_indices = np.loadtxt(args.lprmsd_alt_indices, np.int)
run(
project,
assignments,
args.conformations_per_state,