9 Jul
2012
9 Jul
'12
8:04 p.m.
On Mon, Jul 9, 2012 at 12:59 PM, Phil Jeffrey
This occurs at the end of refinement. Quite why it's trying to *read* from a string with Fortran-esque overflow formatting while in a writing step I don't know, but the PDB file gets truncated at REMARK IF THIS FILE IS FOR PDB DEPOSITION: REMOVE ALL FROM THIS LINE UP.
The structure is not idyllic, clearly, but I'd like to see the extent of the problem rather than just the first atom. Got to be pretty easy to trap for and map to 999.99 either on the way in or out.
Pavel made this change several months ago - you need to update to version 1.8. -Nat