FREERFLAG fails as part of the uniqueify script to complete a test set on a cif-file downloaded from the PDB. My observations:
1) The bug is version-dependent - freerflag 6.2 succeeds, freerflag 1.1 fails (comes with ccp4 6.3, apparently newer than "version 6.2" from ccp4 6.2) 2) The input cif-file has 105382 working and 502 test reflections (deposited pdb file confirms that as a relatively small 0.5% test set size). 3) freerflag throws this error Error in LWREFL_NOEXIT: mindx 2 not open for write! FREERFLAG: LWREFL: failed to write reflection I have not done any updates since 6.3.0, but I do not see any mention of freerflag in updates summary. I can supply the input mtz file that produces the error if needed. Thanks, Ed. -- Edwin Pozharski, PhD University of Maryland, Baltimore
