Dear Shijun
As the message suggests, AMPLE has not been able to find the executable
of THESEUS, the program it uses for maximum likelihood superposition of
structures. This error message is nothing to do with Rosetta. THESEUS is
distributed with more recent versions of CCP4. To continue with your
current version you can install THESEUS (if you haven't already) from
http://theseus3d.org/ . You can then either put it in your $PATH or use
the flag
-theseus_exe /path/to/theseus
Best wishes
Daniel
On 31/07/17 12:55, 张士军 wrote:
Hi all
It always fail when I run ccp4-AMPLE, and log file says
Cannot find executable theseus in PATH. Please give the path to theseus
***************************************************************************
* Information from CCP4Interface script
***************************************************************************
The program run with command:
/usr/local/programs/ccp4/ccp4-6.4.0/bin/ccp4-python -u
/usr/local/programs/ccp4/ccp4-6.4.0/bin/ample -mtz
/home/xingqiang/ZSJ/kif5b/430-566/A12P422output.mtz -fasta
/home/xingqiang/ZSJ/kif5b/430.seq -nmodels 500 -name MVD0 -run_dir
/home/xingqiang/ZSJ/kif5b/430-566 -nproc 4 -make_models True
-rosetta_dir /usr/local/programs/rosetta -frags_3mers
/home/xingqiang/ZSJ/kif5b/aat000_03_05.200_v1_3 -frags_9mers
/home/xingqiang/ZSJ/kif5b/aat000_09_05.200_v1_3 -make_frags False -F F
-SIGF SIGF -FREE FreeR_flag -early_terminate True -use_shelxe True
-use_arpwarp False
has failed with error message
Traceback (most recent call last):
File "/usr/local/programs/ccp4/ccp4-6.4.0/bin/ample", line 505, in
amopt.d['theseus_exe'] = ample_util.check_for_exe('theseus',
amopt.d['theseus_exe'])
File
"/usr/local/programs/ccp4/ccp4-6.4.0/share/ample/python/ample_util.py",
line 93, in check_for_exe
raise RuntimeError,msg
RuntimeError: Cannot find executable theseus in PATH. Please give the
path to theseus
***************************************************************************
#CCP4I TERMINATION STATUS 0 "Traceback (most recent call last): File
"/usr/local/programs/ccp4/ccp4-6.4.0/bin/ample", line 505, in
amopt.d['theseus_exe'] = ample_util.check_for_exe('theseus',
amopt.d['theseus_exe']) File
"/usr/local/programs/ccp4/ccp4-6.4.0/share/ample/python/ample_util.py",
line 93, in check_for_exe raise RuntimeError,msg RuntimeError: Cannot
find executable theseus in PATH. Please give the path to theseus"
#CCP4I TERMINATION TIME 31 Jul 2017 19:49:31
#CCP4I MESSAGE Task failed
Anyone know what's wrong with it? Does it mean I don't install
Rosseta successfully? Thanks
best regards
shijun
--
Dr Daniel John Rigden Tel:(+44) 151 795 4467
Institute of Integrative Biology FAX:(+44) 151 795 4406
Room 101, Biosciences Building
University of Liverpool http://pcwww.liverpool.ac.uk/~drigden/
Crown St.,
Liverpool L69 7ZB, U.K.
