[computing] workshop at Melbourne congress

[Andrea Thorn]

Hi Martin,
I would very much like to know who is behind this proposal.
I think that we as comission should be basically encouraging and
inclusive towards any new effort.

The prospective organisers could be met via Zoom to ensure that topics
are complementary and to see if dates could be move so there is no overlap.
Best wishes,


Andrea.

PS. This email adress is outdated and not checked often - I go now by
andrea.thorn at uni-hamburg.de!



Am 29/07/2022 um 09:43 schrieb Lutz, M.H. (Martin) via computing:
> Dear members of the computing commission,
>
> the organizers of the IUCr congress 2023 in Melbourne are currently
> reviewing proposals for workshops (to be held on 21-Aug and/or
> 22-Aug-2023). They have received a proposal about "Novel Data Methods
> for Crystallography". The question is whether our commission supports
> this proposal, and I would like to hear your comments. Please keep in
> mind that we are planning a Computing School as a satellite meeting at
> the Melbourne synchrotron (19-Aug until 22-Aug-2022) which will
> overlap with the dates of the workshops. The tentative topic of our
> Computing School will be "Visualization".
>
> The description of the workshop "Novel Data Methods for Crystallography":
>
> It is said that trying different ways of doing things is what
> initiates invention. This workshop will bring together
> method-developers and end-users to share novel computational and data
> analysis approaches for overcoming hurdles faced in crystallography.
> Many of the methods presented in this workshop may also go on to help
> the crystallographic community in new and significant ways, ranging
> from providing more accurate orientation refinement for diffraction
> patterns, to faster ways for processing data. Plenty of time will be
> allocated for discussions. Example code demonstrations during the
> presentations are encouraged. It is hoped that the lively discussions
> from this workshop will fuel further developments to the methods and
> create fruitful collaborations among participants. Some of the topics
> we plan on covering include: (1) Expand-Maximise-Compress algorithm
> for diffraction pattern orientation refinement [1].(2) Iterative
> projection algorithms for real-space refinement in protein
> crystallography [2].(3) Diffraction pattern simulation using the
> reborn software [3].(4) In-memory data processing.(5)
> Ptychographic-inspired analysis methods for crystals. References: [1]
> Lan, et al. “Solving protein structure from sparse serial microcrystal
> diffraction data at a storage-ring synchrotron source.” IUCrJ 5, 5,
> pp. 548-558 (2018). [2] Lo, Kingston, and Millane. “Iterative
> projection algorithms in protein crystallography. II. Application.”
> Acta Cryst. A, 71, 4, pp. 451-459 (2015). [3]
> https://kirianlab.gitlab.io/reborn/index.html
>
> Best wishes,
> Martin
>
> --
> Martin Lutz
> Structural Biochemistry
> Bijvoet Centre for Biomolecular Research
> Faculty of Science
> Utrecht University
> Universiteitsweg 99
> 3584 CG Utrecht
> The Netherlands
> Tel. [+31] 06-22735980
>
>
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> computing at iucr.org
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--
Dr. Andrea Thorn | group leader
andrea.thorn at uni-hamburg.de

HARBOR (Institute for Nanostructure and Solid State Physics), Universität Hamburg
Luruper Chaussee 149 / Bldg. 610 | 22761 Hamburg | Germany
Tel. +49 (0)40 42838 3651
www.thorn-lab.de  |www.insidecorona.de
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