Dear Rob,
Sorry to hear that this issue has affected you - it's a known bug which will be
fixed in the next ccp4 update.
AMPLE has run to completion but crashed printing out the results.
To see the results, you can run the following command at the terminal
(command-line):
/home/rob/Xstal_Programs/ccp4v640/destination/ccp4-6.4.0/bin/ccp4-python
/home/rob/Xstal_Programs/ccp4v640/destination/ccp4-6.4.0/share/ample/python/mrbump_results.py
/home/rob/Crystal/108_B7U_3/ccp4/ROSETTA_MR_1/MRBUMP/cluster_1
If that doesn't work or you need any additional help, please contact me
off-list.
Best wishes,
Jens
________________________________________
From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Robert
Kirchdoerfer [rkirc...@scripps.edu]
Sent: 12 July 2014 18:58
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] AMPLE failure
Hi,
I'm trying to run AMPLE from ccp4-6.4.0 on Linux Ubuntu. It looks like it
found all the program dependencies that it needs and Rosetta looks like it ran
okay and I think MRBUMP looks alright, but then the program stopped with the
following error message:
MR and shelx DONE
ALL DONE (in 1.64101706141 hours)
----------------------------------------
Saved results as file:
/home/rob/Crystal/108_B7U_3/ccp4/ROSETTA_MR_1/resultsd.pkl
***************************************************************************
* Information from CCP4Interface script
***************************************************************************
The program run with command:
/home/rob/Xstal_Programs/ccp4v640/destination/ccp4-6.4.0/bin/ccp4-python -u
/home/rob/Xstal_Programs/ccp4v640/destination/ccp4-6.4.0/bin/ample -mtz
/home/rob/Crystal/108_B7U_3/ccp4/XDS_ASCII_scaled2.mtz -fasta
/home/rob/Crystal/108_B7U_3/phenix/RNK149.fasta -nmodels 1000 -name MVD0
-run_dir /home/rob/Crystal/108_B7U_3/ccp4 -nproc 8 -make_models True
-rosetta_dir /home/rob/Xstal_Programs/Rosetta/rosetta-3.5 -frags_3mers
/home/rob/Crystal/108_B7U_3/ccp4/aat000_03_05.200_v1_3 -frags_9mers
/home/rob/Crystal/108_B7U_3/ccp4/aat000_09_05.200_v1_3 -make_frags False -F
F_XDSdataset -SIGF SIGF_XDSdataset -FREE FreeR_flag -early_terminate True
-use_shelxe True -use_arpwarp False
has failed with error message
Traceback (most recent call last):
File "/home/rob/Xstal_Programs/ccp4v640/destination/ccp4-6.4.0/bin/ample",
line 838, in
summary = amopt.final_summary()
File
"/home/rob/Xstal_Programs/ccp4v640/destination/ccp4-6.4.0/share/ample/python/ample_options.py",
line 197, in final_summary
result_summary.append( getattr( result, title2attr[ h ] ) )
KeyError: 'SHELXE_ACL'
Any thoughts on how I might troubleshoot this?
Thanks and Best wishes,
Rob
