Re: [ccp4bb] isymop reference for ISYM column in MTZ files

2024-03-15 Thread Robbie Joosten
If I understand the documentation correctly (https://www.ccp4.ac.uk/html/mtzformat.html), it refers to the symmetry operations as they are stored in the header of the MTZ file. So the source of the MTZ file might make a difference. The safest way of using this data is to follow the header and not s

[ccp4bb] isymop reference for ISYM column in MTZ files

2024-03-14 Thread Hekstra, Doeke Romke
Hi, I would like to be sure about which symmetry operation the M/ISYM column in an MTZ file is referring to. Is it correct that this matches the order in CCP4's /lib/data/syminfo.lib (at least when this order is unique-it is not always so)? Would anyone know why the order in one of my favorite