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hello everyone:
I have used FOCUS for a while, recetly some littile problems distrub me.
When I sovle a zeolite structure with space group Pmmn (with two origins), the output file cannot
be converted to cif.file and cannot used in KRIBER either.
The error list said: RuntimeError: Fw0000 -> KRIBER ERROR space group PMMN:2
not found => P1
I donot know what this means
Anyone please help me, Thank you very much.

Hi,
I am trying to run kriber/dls76 on a Linux cluster, without root permissions, with python 2.7.7 installed on a non-default location. I get the following error:

Traceback (most recent call last):
  File "/home/tmp/path/to/focus-py/bin/kriber", line 9, in <module>
    load_entry_point('focus-package==1.1', 'console_scripts', 'kriber')()
  File "/home/tmp/path/to/focus-py/lib/python2.7/site-packages/focus_package-1.1-py2.7.egg/focus_tools/pykriber.py", line 143, in kriber_entry
    kriber(args=fns)
  File "/home/tmp/path/to/focus-py/lib/python2.7/site-packages/focus_package-1.1-py2.7.egg/focus_tools/pykriber.py", line 132, in kriber
    sp.call([kriber_exe] + args)
  File "/path/to/python/2.7.7/lib/python2.7/subprocess.py", line 522, in call
    return Popen(*popenargs, **kwargs).wait()
  File "/path/to/python/2.7.7/lib/python2.7/subprocess.py", line 710, in __init__
    errread, errwrite)
  File "/path/to/python/2.7.7/lib/python2.7/subprocess.py", line 1327, in _execute_child
    raise child_exception
OSError: [Errno 13] Permission denied

How can I get around that?
Thank you in advance,
Andre

By default when running focus like:

focus foc.inp 100 > foc.out

the foc.out file will have encoding UTF-16, whereas fo2hist and all the other tools expects UTF-8. Python will assume UTF-8 (it is difficult to detect the encoding automatically), so that the text in the file will look scrambled, and no frameworks can be extracted.

It is easy to convert the file though in notepad.exe (or your favourite text editor). Open the output file (foc.out) in notepad, go to File > Save As… and select the encoding UTF-8.

An easier solution is to simply run focus in the Windows command prompt (cmd), which does not have this issue.

Error: (Pascal system I/O error 10 (file not found)

Kriber assumes the c-axis as the unique axis, so whenever it finds a structure with b-axis unique, it needs to apply an operation like *P121 ==>P112(Y,Z,X), at which point it will crash. As a work around, redefine a monoclinic cell A, B, C, 90, angle, 90 as B, C, A, 90, 90, angle, and it will work.

In the symdat file, always the last one in a set of equivalent space groups will work. For example for P2, it should be defined as P112 (c-axis unique).

Using RandomInitialization Time will always generate seed 0.

/focus/src/focus/cputime.c needs to be updated for Windows.

Workaround: Set the seed manually

Possible causes:

• symdat, distdat, coseq are not copied to the directory where KRIBER is run
• The framework is monoclinic and defined with the b-axis unique (Windows only, see #1 )
• There is no strudat file in the current directory