Re: [modeller_usage] resolution

[Modeller Caretaker <modeller-care@ucsf.edu>]

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
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