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
