wwPDB and CCDC

From: Paul Emsley
Date: 13 April 2012 14:14
I remember reading somewhere (or maybe at a seminar presentation?) of an agreement between the wwPDB and the CCDC.

I can't find a reference to it on the web - is there such a thing?

Thanks (even lmgtfy answers happily received),

Paul.

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From: Tim Gruene

Hi Paul,

you are not referring to Gerard Bricogne's announcement for the
grade-server, are you?
http://www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg25770.html

If not - what type of agreement do you have in mind?

Tim

- --
- --
Dr Tim Gruene

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From: Paul Emsley 

Hi Paul,

you are not referring to Gerard Bricogne's announcement for the
grade-server, are you?
http://www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg25770.html

:) No.

If not - what type of agreement do you have in mind?

IIRC, I remember a picture of Gerard (K), Helen, Haruki and a smiling Colin Groom sitting along a table signing something. I was wondering if more details are available on the web.

Paul.

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From: Randy Read
Hi Paul,

What you might be remembering is the following paragraph from our Validation Task Force report:

"The Cambridge Crystallographic Data Centre (CCDC) has recently entered into collaboration with the wwPDB partners. As part of the agreement, wwPDB will have access to Mogul, which will be integrated into the wwPDB validation pipeline, and to the experimental coordinates of ligands that are or have been deposited in the PDB and that also occur in the CSD. Taken together, this means that high-resolution reference coordinates will become available for many ligands in the PDB and that high-quality geometry-validation reports can be generated for all ligands that will be deposited in the future."

Regards,

Randy

------
Randy J. Read

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From: Gerard DVD Kleywegt
Hi Paul,

You saw the wwPDB/CCDC JPG in my PPT at GSK :-)

Yes, wwPDB and CCDC have signed an MoU. In pounds and pennies it means, amongst a number of other things, that wwPDB will be allowed to use Mogul in its validation pipeline and that wwPDB will be allowed to incorporate and redistribute CSD coordinates of small molecules that occur in both PDB and CSD.

--Gerard (K)

Best wishes,

--Gerard



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From: Eleanor Dodson
A jolly good thing - congratulations and thanks to the instigators...

Eleanor