[computing] workshop at Melbourne congress

Fri Jul 29 11:13:53 BST 2022

Hi Martin

I thought they would not be able to move their workshop. It might be possible to move ours forward a day - Santosh may be able to help here. A free day in Melbourne between our workshop and the IUCr would not be seen as a problem by many people travelling from “abroad”...

Joe Chen seems to have published some work with John Spence, so I’d guess that Tom White would know him.

Harry

> On 29 Jul 2022, at 10:32, Lutz, M.H. (Martin) via computing <computing at iucr.org> wrote:
> 
> Dear Andrea and Harry,
> 
> the contact person for the workshop on "Novel Data Methods for Crystallography" is Joe Chen from the university of Canterbury (New Zealand): https://www.canterbury.ac.nz/engineering/contact-us/people/joe-chen.html
> 
> Concerning the dates:
> Because of the booking of the congress center, I think that the dates for workshops are not flexible.
> 
> For our Computing School we have chosen a period directly before the congress (ending on the day of the congress opening ceremony). The reason is the traveling of the international participants. Obviously, we do not yet have fixed program for the school but the date is arranged with the synchrotron as the hosting institution.
> 
> Best wishes,
> Martin
> 
> From: computing <computing-bounces at iucr.org> on behalf of Harry Powell via computing <computing at iucr.org>
> Sent: Friday, July 29, 2022 11:14 AM
> To: Discussion list for the IUCr Commission on Crystallographic Computing <computing at iucr.org>
> Cc: Harry Powell <harry at hp-crystal.com>
> Subject: Re: [computing] workshop at Melbourne congress
>  
> Hi Martin et al
> 
> The workshop as described seems to be similar in spirit to the earlier CompComm workshops going back to the late 1970’s - early 1980’s (e.g. as published in Crystallographic Computing vols 1 - 5, pub by IUCr & OUP), so it is, in principle, something that I would support. 
> 
> However, because it is the kind of thing that CompComm is involved with, and certainly comes under our remit from the IUCr, it would be good to co-ordinate the dates (as Andrea suggests) so there is no clash. Since this looks as if it is a one-day workshop, that may not be a problem - depends on how advanced and how fixed the dates are for our workshop (e.g. what time of day does ours finish?). At this distance in time it should be possible for all concerned to be flexible and accommodate both.
> 
> From the IUCr XXVI website - 
> 
> > Please note that IUCr 2023 is only able to host workshops on Monday 21 and Tuesday 22 August 2023. Any workshops extending a 2-day timeframe will not be able to be accommodated.
> 
> So they don’t have much flexibility.
> 
> It would be interesting to know who is organising it - I notice that two of the three references come from groups in NY state - Buffalo and Ithaca, and the third comes from an NZ group, and I think good people associated with all three. But they may not actually be involved with organising it!
> 
> One thing I found in my (some would say too long) association with CompComm is that there are quite a few methods developers out there who don’t seem to be aware of us within IUCr, our role or what we actually do (e.g. the Phenix group produces their Computational Crystallography Newsletter in spite of CompComm (historically) producing something with a remarkably similar name - but I suppose the New York Times and the London Times co-exist quite happily). 
> 
> I reproduce here something that Ton Spek wrote (to encourage collaboration and collaborative workshops) in 2003 in one of “our” newsletters - 
> 
> > In the sixties of the last century, when I started to write my own crystallographic software (on papertape), to be executed on a 1MHz air-conditioned room filling 'personal computer' in a language called ALGOL, we were largely unaware of similar but largely incompatible developments in other crystallographic departments. One of the important tasks of the IUCr computing commission in that period was to bring people working on crystallographic software together in order to exchange experience and ideas that turned out to be successful.
> 
> Just my two ha’porth
> 
> Harry
> 
> 
> > 
> > On 29 Jul 2022, at 09:37, Andrea Thorn via computing <computing at iucr.org> wrote:
> > 
> > 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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> > --
> > 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
> > 
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