A reminder that the registration deadline for the free one-day RSC meeting on
British X-ray Crystallographers is fast approaching. More details can be found
here:
https://www.rsc.org/events/detail/76719/british-x-ray-crystallographers
Best wishes, Jon Cooper.
jon.b.coo...@protonmail.com
Sent
Thanks David (and others who replied the same off list)
Yes, this is exactly what I wanted thank you
Agree that dimple should probably accept mmCIF, but for the moment I have the
capacity to compute maps so jobsagoodun
All the best Graeme
From: David Waterman
Of course the proper answer should be to fix dimple to read mmCIF (for
which I would also recommend gemmi)
-- David
On Wed, 20 Sept 2023 at 16:35, David Waterman wrote:
> gemmi convert --shorten 7qgf.cif foo.pdb
>
> ?
> -- David
>
>
> On Wed, 20 Sept 2023 at 15:57, Winter, Graeme
gemmi convert --shorten 7qgf.cif foo.pdb
?
-- David
On Wed, 20 Sept 2023 at 15:57, Winter, Graeme (DLSLtd,RAL,LSCI) <
6a19cead4548-dmarc-requ...@jiscmail.ac.uk> wrote:
> Looks like PDB files have been outlawed because mmCIF
>
> But dimple needs PDB files
>
> cif2pdb says nope
>
> Grey-Area
I'm using a similar scheme for converting mmCIF to PDB with 'gemmi convert'.
1. Long CCD codes are replaced with 3-character codes
that end with a tilde (ABCDE -> AB~)
2. The HETNAM record is used to store the original CCD codes (in columns 72-79).
HETNAM AB~
Looks like PDB files have been outlawed because mmCIF
But dimple needs PDB files
cif2pdb says nope
Grey-Area work :( $ cif2pdb --help
* ERROR *
No cif file read on input
Grey-Area work :( $ cif2pdb ~/Downloads/7qgf.cif
* ERROR *
No cif file read on input
Grey-Area
An opportunity exists for Postdoctoral Fellow (Structural Biologist) to join
the research laboratory of Professor Wai-Hong Tham in the Department of
Biomedical Sciences and Biochemistry, Research School of Biology at the
Australian National University.
The Tham Laboratory works on infectious
Hi
I am also reminded that I was involved in the data collection but not structure
solution of a DNA cyclic octamer from a single wavelength dataset collected to
atomic resolution (on image plate…), which was solved after locating a Ba
(which turned out to be one of several with partial
Hi folks
just my two ha’porth.
Back in the mid 1990s, when MAD was becoming common and tunable beamlines were
being installed at every synchrotron you could shake a stick at, I was involved
in several successful projects involving 5-Br-U in oligo-DNA crystallography.
In my (very, very) naïve
