执行脚本.py对于Modeler软件，通过java代码

Question

脚本文件

# Homology modeling by the automodel class
from modeller import *              # Load standard Modeller classes
from modeller.automodel import *    # Load the automodel class

log.verbose()    # request ver`enter code here`bose output
env = environ()  # create a new MODELLER environment to build this model in

# directories for input atom files
env.io.atom_files_directory = './:../atom_files'

a = automodel(env,
alnfile  = 'align.ali',     # alignment filename
knowns   = '1GJZ',              # codes of the templates
sequence = 'target')              # code of the target

a.starting_model= 1       
a.ending_model= 10           # index of the first model
# (determines how many models to calculate)
a.make()                            # do the actual homology modeling

代码

^{pr2}$

输出

^{3}$

错误

iodataW> Setting io.atomfilesdirectory to a colon-delimited string is deprecated, as it is not robust on Windows systems. Set it to a list of directories instead. For example: env.io.atomfilesdirectory = ['./', '../atomfiles'] openf__E> Cannot open file align.ali: No such file or directory;

这段代码正在访问modeller程序，正如我们在输出部分中看到的，一旦它开始执行，就会出现一个错误对齐.ali未找到，如错误部分所示。它作为一个独立的script.py文件运行。在

Answer 1

这看起来像是一个路径问题。您是否尝试在python脚本中使用align.ali的绝对路径？在