Dear All, I'm having problem with running ligand_identification script. All well up to the point where the ligand library is created and then for each ligand following error is displayed: Running job sequence 13, ligand 14, in /share/scratch/an... Sorry, resolve was not able to finish on the first cycle I suspect it has something to do with resolve size but there is no keyword like resolve_size for ligand_identification. I've tested my input files with 1.7.1-743 and dev-738 release - same results. Thanks in advance for the support! Regards, Andrzej -- Dr. Andrzej Lyskowski (andrzej[.]lyskowski[@]acib[.]at) ACIB Austrian Centre of Industrial Biotechnology GmbH Petersgasse 14, A-8010 Graz, Austria http://acib.at/ c/o IMB Institute of Molecular Biosciences, University of Graz Humboldtstraße 50,III/194, A-8010 Graz, Austria http://strubi.uni-graz.at/ +43 316 380 1993 tel +43 316 380 9897 fax
Hi Andrzej, Sorry for the problems. What you described usually has to do with the mtz input. I wonder if you could send me your mtz file off the list. I'd be glad to help you resolve the issues. Thank you, Li-Wei Hung Andrzej wrote:
Dear All,
I'm having problem with running ligand_identification script. All well up to the point where the ligand library is created and then for each ligand following error is displayed:
Running job sequence 13, ligand 14, in /share/scratch/an... Sorry, resolve was not able to finish on the first cycle
I suspect it has something to do with resolve size but there is no keyword like resolve_size for ligand_identification.
I've tested my input files with 1.7.1-743 and dev-738 release - same results.
Thanks in advance for the support!
Regards, Andrzej
participants (2)
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Andrzej -
Li-Wei Hung