Marc De Maeyer wrote: > After executing the modeller compare.py command I noticed that the > resolution is incorrectly listed in the log file. > > as an example the resolution for the 1GV0.pdb this is not 2.0 but 2.5 > REMARK 2 RESOLUTION. 2.5 ANGSTROMS. > > Do I interprete this value incorrectly?
You're absolutely right. Modeller expects PDB v2 format when parsing the RESOLUTION line from PDB files, and does not understand the new-style (remediated, v3) format. In v2 format, the resolution is expected to be in columns 23-27, while in v3, it is in columns 24-30. So in this case, Modeller reads ' 2' from your PDB file rather than ' 2.5' which explains the behavior you're seeing.
This is, of course, a bug. I've fixed it for the next Modeller release. As a workaround for now, you could manually edit your PDB files and delete three spaces from between RESOLUTION. and the actual value.
Ben Webb, Modeller Caretaker