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Hello everyone,
I am trying to generate a checkCIF report for a publication submission and I am
not having any luck. I have generated the cif files using CCP4, pdb_extract and
the sf CIF file from the wwPDB deposition server and for all of the checkCIF
says there is no extractable fcf data and
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On 14/09/2018 15:50, Moss, Daniel L wrote:
I am trying to generate a checkCIF report for a publication submission and I am not having any luck.
That's the wrong sort of cif check :-/
> The journal I’m submitting to requires a checkCIF report.
If so, they are wrong to do so - or you might be
They say for small molecules they want IUCr's CheckCIF validation report. I
think you're on to something and that I may be mistaken. This is probably not
for protein structures and the PDB validation report is likely enough. I think
I will email the journal and confirm. Thanks for the help!
Dan
Dear Daniel,
Did you solve the structure of a small molecule, or do you have a small
molecule ligand as part of a protein/ macromolecular complex? In the latter
case you don't need checkCIF.
Best,
Tim
On September 14, 2018 5:43:48 PM GMT+02:00, "Moss, Daniel L"
wrote:
>They say for small mol
Dear All,
we are experiencing a problem when trying to convert a 2D stack to
single images:
e2proc2d.py --unstacking stack.mrcs frame.mrc
76 images, processing 0-75 stepping by 1
1 images
according to the manual this should output a a series of numbered
single image files, however, it w
Tim – It’s a macromolecule with a small molecule ligand so yes I believe you
are right I don’t need checkCIF..
Phil – Yes I think this is the case.
I was just following this journal’s submission guide and they only had one
heading for crystallographic data and it’s for small molecules only, the
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