Hi Nick,
Look into Proasis - http://www.desertsci.com/products/proasis3/
Aaron
On Wed, Feb 20, 2019 at 7:29 PM Nicholas Larsen <
nicholas_lar...@h3biomedicine.com> wrote:
> Dear CCP4 users,
> This is off topic and directed more towards industry users. I would
> really appreciate any help
What happens if you use REFI BREF Overall with a Boverall of 0.0?
It might just keep the given atomic B factors and add 0.0 to them?
Eleanor
On Wed, 20 Feb 2019 at 12:06, Pearce, N.M. (Nick) wrote:
> But no way to fix to a set of refined/parametrised Bfactors and refine?
> (That’s the one I
The PDB extract tool can be used to create the proper format mmCIF file from
coordinates uploaded in PDB format.
https://pdb-extract.wwpdb.org
https://pdb-extract.wwpdb.org/tutorial.html
Diana
**
Diana R. Tomchick
Professor
Departments of
Dear John, dear CCP4,
Is there a converter from CIF to mmCIF?
Some structures are refined with Shelxl, which can output CIF.
A converter would be very useful, even if they make only a small fraction of
the PDB.
Best regards,
Tim
On February 20, 2019 9:06:22 AM GMT+01:00, John Berrisford
These are not structural biology roles, but I thought there would be some
overlap with the skills of people on this forum. We are looking for innovative
people to join our startup company, LabGenius. We engineer proteins with both
enhanced and entirely novel functionality with the use of
I agree, how can we punch an mmCIF file on these cards?
Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Edwin
Pozharski
Gesendet: Mittwoch, 20. Februar 2019 16:19
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [EXTERNAL] Re: [ccp4bb] Mandatory mmCIF format for crystallographic
But my 80 symbols... :)
On Wed, Feb 20, 2019 at 3:08 AM John Berrisford wrote:
> From July 1st 2019 onward, mmCIF format files will become mandatory for
> crystallographic depositions to the Protein Data Bank. PDB format files
> will no longer be accepted for deposition of structures solved
Dear colleagues,
At the moment we have several positions available. This e-mail is to bring
to your attention an opening for a Research Assistant position in our lab.
Please send applications by March 15th to employm...@genesilico.pl. See
details below.
Cheers,
Almudena
Research Assistant –
Dear colleagues,
this e-mail is to bring to your attention an opening for a PhD student
position in our lab. Please send applications by March 15th to
employm...@genesilico.pl. See details below.
Cheers,
Almudena
Ph.D. Student Position: development of software for modeling and design of
RNA
But no way to fix to a set of refined/parametrised Bfactors and refine? (That’s
the one I wanted most). I.e. “refi coordsonly”.
Thanks,
Nick
On 20 Feb 2019, at 12:47, Jon Agirre
mailto:jon.agi...@york.ac.uk>> wrote:
Hi Nick,
you can refine B-factors while leaving coordinates untouched by
Hi Nick,
you can refine B-factors while leaving coordinates untouched by using the
'refi bonly' keywords. You can also preset an average (e.g. Wilson B) and
have refmac do coordinate refinement (
http://www.ccp4.ac.uk/html/refmac5/keywords/xray-principal.html#refi).
Cheers,
Jon
On Wed, 20 Feb
Hi all,
Is it possible to fix the B-factors/coordinates of a model in refinement with
REFMAC?
It’s trivial to do so in phenix.refine (strategy=…), but I can’t find an
equivalent command line flag in refmac…
Thanks,
Nick
Post-doctoral Fellow,
Crystal and Structural Chemistry,
Utrecht
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>From July 1st 2019 onward, mmCIF format files will become mandatory for
crystallographic depositions to the Protein Data Bank. PDB format files will
no longer be accepted for deposition of structures solved by these
techniques.
PDBx/mmCIF will be the only format accepted for deposition of PDB
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