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Re: 2017 COMCIFS report
- To: comcifs@iucr.org
- Subject: Re: 2017 COMCIFS report
- From: Brian McMahon <bm@iucr.org>
- Date: Tue, 8 May 2018 10:13:58 +0100
- In-Reply-To: <CAM+dB2dQoGFQ9MgibND4b5QGGmJL-oZsWxB62WfJ=qcD8NUNBw@mail.gmail.com>
- References: <CAM+dB2dQoGFQ9MgibND4b5QGGmJL-oZsWxB62WfJ=qcD8NUNBw@mail.gmail.com>
James I'm happy with this report in its current form. The "looking forward" comment is very sensible. How about a small competition with cash prize to write a specific piece of open-source software (python/perl bindings to CIFAPI, CIF2-compatible update to Perl STAR::Parser, checkCIF module for magCIF :-)? Brian On 08/05/2018 06:06, James Hester wrote: > Dear COMCIFS, > > A draft report for COMCIFS for the 2017 calendar year is appended below > for your comment and approval. This must be submitted to the IUCr by the > end of the week. > > James. > > -- > COMCIFS report 2017 > =================== > > COMCIFS is responsible for maintaining and developing the suite of > standards known as the Crystallographic Information Framework (CIF) on > behalf of the IUCr. The committee consists of five voting members and > a broad collection of advisers and observers. The current voting > members are James Hester (Chair), Brian McMahon (Secretary), Herbert > Bernstein, John Westbrook, and John Bollinger. No issues required a > vote in 2017. > > New dictionaries > > No new dictionaries were approved in 2017. Preliminary drafts of a > high pressure dictionary and a topological dictionary were sighted. > > Updating legacy dictionaries > > COMCIFS is in the process of rewriting all legacy IUCr dictionaries to > use a modern dictionary definition language (DDLm). This work is now > essentially complete for core, powder, twinning and > constraint/restraint dictionaries. The modulated structure dictionary > required development of further standards in order to properly > describe data spread over multiple blocks; a recommendation was > developed and formally proposed at the end of the year. > > The legacy dictionaries are being gradually phased out, with a > maintainer appointed to ensure that the legacy dictionaries remain > compatible with the new dictionaries in the overlap period. > > Macromolecular standards > > The wwPDB is responsible for a large and rapidly expanding collection > of CIF definitions that encompass concepts and techniques used in the > macromolecular community. The wwPDB continues to develop powerful > tools for easy deposition of, and access to, data in mmCIF/PDBx form, > and continues to encourage an active community of users. In 2017, the > wwPDB PDBx/mmCIF Working Group has drafted extensions describing > macromolecular coherent diffraction experiments including definitions > for describing data collection on potentially vast numbers of crystal > samples. > > Interactions with other standards groups > > Collaboration with the NeXus project on harmonising standards took a > major leap forward during the Hyderabad meeting, with the approval by > NeXus representatives of a method for wholesale incorporation of CIF > data into NeXus files. This is initially intended as a way for NeXus > users to include experimental and sample information defined in > mmCIF/PDBx dictionaries into raw data files, and is sufficiently > flexible to allow any data names defined in CIF dictionaries to be > included in a NeXus file. With the increasing adoption of Dectris > Eiger Dectectors at macromolecular crystallogrpaphic synchrotron > beamlines, it has become routine practice to use automatic software > translation from the Eiger HDF5/Nexus data format to the imgCIF/CBF > format both on-the-fly and via file systems. > > COMCIFS is also closely involved with the new IUCr Committee on Data > (CommDat). Chairs of both committees attended the committee meetings > for COMCIFS and inaugural meeting for CommDat held during the > Hyderabad congress. > > JSON > > A standard for writing CIF data in the JSON format was approved > by COMCIFS during 2017. It is expected that this will be useful when > transferring structural data within web-based applications. > > Hyderabad meeting > > COMCIFS sponsored a one-day workshop devoted to creating CIF > dictionaries prior to the IUCr Hyderabad congress, with about 15 > registered attendees. There was also a well-attended microsymposium > discussing programming for CIF, NeXus and related file structures > (MS107). A COMCIFS committee meeting was also held during the congress. > > Looking forward > > Over the last few years a considerable amount of work has fallen to a > handful of people. This situation is not sustainable, particularly as > the first generation of CIF experts move into retirement. The chair > plans to explore strategies to expand the community of people actively > engaged with CIF development. > > > > _______________________________________________ > comcifs mailing list > comcifs@iucr.org > http://mailman.iucr.org/cgi-bin/mailman/listinfo/comcifs >
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