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