[ccp4bb] freerflag bug

2013-01-26 Thread Edwin Pozharski
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

Re: [ccp4bb] freerflag bug

2013-01-26 Thread Robbie Joosten
@JISCMAIL.AC.UK Subject: [ccp4bb] freerflag bug 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