Phil Evans wrote:
I can't phosphorylate a residue
oh - grr.
It looks as if it's trying to create a file in $CLIBD (ccp4/lib/data)
Yes, maybe so.
which doesn't belong to me (as is usual I would have thought)
I agree.
It shouldn't put it there, should it?
Definitely not.
If you look, the input generated from coot specifies files in the local
directory.
This is echoed in the output of refmac and libcheck.
Then refmac says:
> File: /public/xtal/ccp4-6.1/ccp4-6.0.99c/lib/data/libcheck_SEP.cif
> : Open failed: Unit: 7,
Why does refmac say that? What happens when you run refmac 'by hand'
with the input specified from the refmac log file?
I think that this is a refmac problem not coot.
(I could be wrong, obviously).
Paul.
