Ah... so it is. Turns out (after some digging) that what I thought was
from ccp4 was, in fact, from Solve. Which is also wrong, thanks to an
outdated configuration file.
Live and learn... thanks for quick response!
phx
Phil Evans wrote:
Indeed Paul is right - symop.lib is historical, syminfo.lib is the
up-to-date version
Phil
Frank von Delft wrote:
Hi, any particularly cogent reason why the order of symops is
different in coot and ccp4? (E.g. below: P6522.)
It's fantastically annoying, e.g. when trying to reconstruct symmetry
mates via ccp4, if the symop number is not what is shown in the coot
status bar. Or e.g. when trying to sort out inter-unit cell
disulphides. Etc.
I thought that syminfo.lib was standard ccp4 - and that symop.lib was
only hanging around for historical reasons.
Perhaps the symmetry order problem would be somewhat ameliorated if you
used expanded labels?
Draw -> Cell & Symmetry -> Expanded Symmetry Atom Labels -> [Tick]
Perhaps [Tick] should be the default.
Paul.
