Conference Agenda

Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).

Please note that all times are shown in the time zone of the conference. The current conference time is: 1st Nov 2024, 12:31:31am CET

 
 
Session Overview
Session
SMS-3: Online crystallography: Tools, apps and web services
Time:
Tuesday, 17/Aug/2021:
10:20am - 12:45pm

Session Chair: Eugene Krissinel
Session Chair: Christian Bertram Hübschle
Location: Club H

100 1st floor

Invited: Mois Ilia Aroyo (Spain), Victor Lamzin (Germany)


Session Abstract

Contemporary approaches to online delivery of tools, resources and services, which relate to any aspects of crystallographic studies and associated structure research.


Introduction
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Presentations
10:20am - 10:25am
ID: 1837 / SMS-3: 1
Introduction
Oral/poster

Introduction to session

Eugene Krissinel, Christian Bertram Hübschle



10:25am - 10:55am
ID: 834 / SMS-3: 2
Special Sessions
Invited lecture to session
Special sessions: Online crystallography: Tools, apps and web services
Keywords: online symmetry database; space-group symmetry; symmetry relations between space groups; crystallographic point groups

Symmetry database of International Tables online

Eli Kroumova1, Gemma de la Flor Martin2, Nicola J. Ashcroft3, Mois Ilia Aroyo4

1eFaber Soluciones Inteligentes SL., Bilbao (Spain); 2Institute of Applied Geosciences, Karlsruhe Institute of Technology, Karlsruhe (Germany); 3Editorial Office, International Union of Crystallography, Chester (England); 4Departamento de Física, Universidad del País Vasco UPV/EHU, Bilbao (Spain)

External Resource:
Video Link


10:55am - 11:25am
ID: 1535 / SMS-3: 3
All topics
Invited lecture to session
Special sessions: Online crystallography: Tools, apps and web services
Keywords: ARP/wARP, web services, model building, macromolecular crystallography, cryo-electron microscopy

Macromolecular Model Building Over the Web

Victor S. Lamzin, Egor Sobolev, Philipp Heuser

EMBL, Hamburg, Germany



11:25am - 11:45am
ID: 1213 / SMS-3: 4
Special Sessions
Oral/poster
Special sessions: Online crystallography: Tools, apps and web services
Keywords: resilience, call out, on call, support, MX

Live monitoring onsite, remote and unattended data collection on synchrotron MX beamlines

David Aragao, Elliot Nelson

Diamond Light Source, Harwell Science and Innovation Campus, Chilton, Didcot, OX11 0DE, UK

External Resource:
Video Link


11:45am - 12:05pm
ID: 967 / SMS-3: 5
Special Sessions
Oral/poster
Special sessions: Exemplary practice in chemical, biological and materials database archiving, Introduction to machine learning, Online crystallography: Tools, apps and web services
Keywords: machine learning, lattice energy prediction, crystal invariant and similarities, continuous classification of crystals

Introduction to invariant-based machine learning for periodic crystals

Vitaliy Kurlin, Jakob Ropers, Marco M Mosca, Olga Anosova

University of Liverpool, Liverpool, United Kingdom

External Resource:
Video Link


12:05pm - 12:25pm
ID: 1435 / SMS-3: 6
All topics
Oral/poster
Special sessions: Online crystallography: Tools, apps and web services
Keywords: CCP4, macromolecular crystallography, web applications, cloud

Solving Macromolecular Structures Online with CCP4

Ville Uski, Eugene Krissinel, Charles Ballard, Andrey Lebedev, Ronan Keegan

Science and Technology Facilities Council, Didcot, United Kingdom

External Resource:
Video Link


12:25pm - 12:45pm
ID: 1872 / SMS-3: 7
General interest
Oral/poster
Special sessions: Online crystallography: Tools, apps and web services
Keywords: online server, open science, molecular interactions, binding affinities, protein stability

eSPC, an Online Data Analysis Platform for Molecular Biophysics

Maria m. Garcia Alai

EMBL, Hamburg, Germany

External Resource:
Video Link


 
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