• Optimizing data collection with direct electrons detectors and exploiting movies.
• Full data set automatic CTF correction.
• Correction of anisotropic magnification.
• Reaching atomic resolution without reference bias: alignment-by-classification (ABC) refinement procedures.
• Unbiased "Random Startup" of 3D and 4D reconstructions.
• 4D refinement procedures for high resolution results using IMAGIC-4D and/or Frealign.
• Fitting and refining atomic coordinates in high-resolution cryo-EM maps (~4? or better) using programs like REFMAC and Coot.
• Validation of the final results.

A Molecular Scale Understanding of Crystal Growth

Venue: Curtin University, Perth, Western Australia

Scope of the meeting:

Organisers:

• Prof Michael Anderson (University of Manchester)
• Prof Julian Gale (Curtin University)
• Prof Andrew Putnis (Curtin University)
• Confirmed invited speakers:
• Prof Lia Addadi (Weizmann Institute, Israel)
• Prof Helmut Coelfen (University of Konstanz, Germany)
• Prof Jim de Yoreo (PNNL, USA)
• Dr Denis Geabuer (University of Konstanz, Germany)
• Prof Hugo Meekes (University of Nijmegen, Netherlands)
• Prof Steve Parker (University of Bath, UK)
• Prof Christine Putnis (University of Muenster/Curtin University)
• Prof Andrew Putnis (Curtin University)
• Prof Andrew Rohl (Curtin University)
• Dr Encarni Ruiz-Agudo (University of Granada, Spain)
• Prof Nico Sommerdijk (University of Eindhoven, Netherlands)
• Prof Francis Taulelle (University of Leuven, Belgium)
• Prof Henry Teng (George Washington University, USA)
• Prof Elias Vlieg (University of Nijmegen, Netherlands)

Flyer:

Funding:

Registration:

Participation

Exploring All Facets of the Inorganic Chemistry of Life

FPSchool aims to contribute to the training of scientists in treatment of X-ray and neutron diffraction data.The school is based on intensive hands-on sessions using the computer programs of the FullProf Suite.

The lectures and tutorials will provide the essential tools necessary for an efficient use of the FullProf Suite at an intermediate level. In addition to general applications, the new features on material science data analysis and magnetic structure determination and refinement will be given particular attention.

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• David Bensimon, École Normale Supérieure
• Avinoam Ben Shaul, The Hebrew University of Jerusalem
• Ron Dror, Stanford University
• Sarel Fleishman, Weizmann Institute of Science
• William Gelbart, UCLA
• Daniel Harries, The Hebrew University of Jerusalem
• Stephen Harrison, Harvard Medical School
• Barry Honig, Columbia University
• Tom Kirchhausen, Harvard Medical School
• Rachel Kolodny, University of Haifa
• Michael Levitt, Stanford University
• Emmanuel Levy, Weizmann Institute of Science
• Ohad Medalia, University of Zürich
• Gali Prag, Tel Aviv University
• Tamar Schlick, New York University
• Gideon Schreiber, Weizmann Institute of Science
• Arieh Warshel, University of Southern California
• Ada Yonath, Weizmann Institute of Science

Memristive phenomena combine the functionalities of electronic resistance and data memory in solid-state elements, which are able to change their resistance as a result of electrical stimulation in a non-volatile fashion. In nanoelectronics, this functionality can be used for information storage and unconventional logic, as well as neuromorphic computing concepts that are aimed at mimicking the operation of the human brain.

A multitude of fascinating memristive phenomena has emerged over the past two decades. These phenomena typically occur in oxides and higher chalcogenides and are one of the hottest topics in current solid-state research, comprising unusual phase transitions, spintronic and multiferroic tunneling effects, as well as nanoscale redox processes by local ion motion. They involve electron correlation, quantum point contact effects and exotic conformation changes at the atomic level.

Eighth in the series, the American Conference on Neutron Scattering (ACNS 2016) will provide essential information on the breadth and depth of current neutron-related research worldwide. A strong program of plenary, invited and contributed talks showcase recent scientific results in neutron science in a wide range of fields, including sources, instrumentation and software; hard condensed matter; soft matter; biology; materials chemistry and materials for energy; engineering and industrial applications; and neutron physics.

The conference will be held on board the historic Queen Mary in Long Beach, California and is hosted by the Neutron Scattering Society of America.

• Â Â Â Molecular Graphics
• Â Â Â Fully Interactive 3D Molecules in PowerPoint and the Web
• Â Â Â Linking Sequence to 3D Protein Structures
• Â Â Â Protein Structure Analysis
• Â Â Â Protein Modeling and Simulations
• Â Â Â Protein Structure Validation and Optimization
• Â Â Â Ligand Binding Site Prediction
• Â Â Â Protein-Protein Docking
• Â Â Â Small Molecule Docking
• Â Â Â Induced Fit Docking
• Â Â Â Structure and Ligand-based Virtual Ligand Screening
• Â Â Â Lead design using the ICM 3D Interactive Ligand Editor
• Â Â Â Cheminformatics: chemical clustering, searching, superposition, combinatorial library generation and QSAR

Focus Area Contacts

Focus Area 1: Michael Hennig, Basel for SIG 1:

Focus Area 2: Jürg Schefer, Paul Scherrer Institute Villigen, for SIG 5, 11, 12

Focus Area 3: Piero Macchi, Berne, for SIG 2, SIG 3, SIG 4

Focus Area 4: Katharina Fromm, Fribourg, for SIG 7 and SIG 13

Focus Area 5: Radovan Cerny, Geneva, for SIG 6, SIG 8 and SIG 9

Second joint Diamond-CCP4 MX workshop for graduate students, postdocs and early career scientists.

All aspects of structure solution will be covered during the workshop, from data collection through to phasing, refinement and validation.

• Lectures and tutorials will be delivered by experts in the field
• Two days of data collection time will be provided at Diamond's excellent MX beamlines
• You will be able to work alongside world-leading scientists and methods developers on your own projects
• All costs apart from travel will be covered

Strengthening relationships between material scientists from Europe and countries to the south and east of the Mediterranean Sea, led us to launch a series of conferences entitled Euro-Mediterranean Conference on Materials and Renewable Energies (EMCMRE). The scientific topics of the EMCMRE conference are important to countries surrounding the Mediterranean sea with particular attention to novel problems using state of the art experimental techniques as well as advanced theoretical and computational approaches for materials science. The third conference in the series will be held in Marrakech (Morocco) and will be dedicated to Materials and Renewable Energies with an emphasis on nanoscience, nanotechnology and renewable energies.

The topics of the EMCMRE conference will encompass the branches of physics, chemistry and computer science that directly impact Renewable Energies. The targeted audience includes Professors, Researchers and Engineers from Universities, Engineering Schools and Research Institutes. The participation of PhD and Masters Students from both sides of the Mediterranean sea is strongly encouraged. The conference will include oral and poster presentations as well as plenary and keynote presentations given by high profile scientists that will cover the key themes of the conference. The proceedings of the conference will be published in an international journal.

From Big Data to Smart Data

Enzymology: Innovations in Understanding and Impact in Application

The Diamond Light Source Macromolecular Crystallography group would like to invite both our academic and industrial users to MX beamline training sessions on the 15th -16th July 2015.

The aim is to provide MX users with sufficient training to be able to operate any of the Diamond MX beamlines efficiently and to get the most benefit from their beamtime. The training will involve hands-on sessions on the suite of five operational MX beamlines (http://www.diamond.ac.uk/mx-home/) as well as optional offline software sessions.

Sessions include:

15th July, afternoon session and 16th July, morning session on MX beamlines:

• MX software: automation in data analysis
• Mini-Kappa goniometry / Anomalous data collection
• Sample humidity control (HC1) • I24 new end station/ In-situ diffraction
• Fragment screening â€" I04-1/Lab36
• Experiment database: new ISPyB

16th July afternoon optional session Hands on software:

Two tutorial sessions:

• CCP4: structure solution and model building with CCP4 (CCP4 team)
• Manual processing with iMosflm (Harry Powell)

Programmatic Access to Macromolecular Structure Information

The Protein Data Bank in Europe (PDBe;www.ebi.ac.uk/pdbe/
) is organising a hands-on, interactive
workshop for developers interested in using primary and value-added
information about the 3D structures in PDB and EMDB. Programmatic access
to macromolecular structure data as well as information about
assemblies, structure quality, literature and citations, and up-to-date
cross-references to other biomedical resources (UniProt, Pfam, CATH,
SCOP, etc.) are a critical requirement for integrative bioinformatics
analyses and workflows.

PDBe has developed a set of REST APIs
(http://www.ebi.ac.uk/pdbe/api/doc) that provide easy access to
high-quality information regarding biomacromolecular structures archived
in PDB and EMDB. They provide a simple, reliable, light-weight mechanism
to query macromolecular structure data, select entries or molecules of
interest, and access targeted information about them, including
information about the molecules, experimental details, assemblies,
motifs, function, taxonomy, structure quality, etc. The API is used by
PDBe services and is also integrated in Jmol/JSmol. We will also present
Solr/Lucene based query API for macromolecular structure information
including PDB, EMDB and value added information on assemblies, structure
quality and up-to-date cross-reference information to other biomedical
databases based on SIFTS (http://pdbe.org/sifts).

 ==== Is it for me?

Do you (plan to) develop software or online resources that use or need
access to information about structures in PDB or EMDB? Would you rather
not maintain your private infrastructure for retrieving, parsing,
storing and updating such information?

If so, then this workshop is for you. We will explain what information
is available through the API and how you can access it from your own
software or resource. There will be plenty of time for hands-on work
where experienced PDBe developers will help you to use the API for your
specific needs.


==== When and where?

The workshop will take place on 24 & 25 September 2015 (starting at
12.00 on 24 September, and finishing at 16.00 on 25 September) at
EMBL-EBI (www.ebi.ac.uk ) in Hinxton, near Cambridge.


==== How much does it cost?

There is no fee for the workshop. However, we expect you to arrange and
pay for your own travel to and from EMBL-EBI.

Accommodation will be provided if required at the Wellcome Trust
Conference Centrewww.wtconference.org.uk
which is on the same campus as EMBL-EBI.

Refreshments, lunch on both days and a workshop dinner on 24 September
will all be provided.


==== How can I apply?

To apply for the workshop, email Jose Dana at [email protected] no later
than Friday 26 Junewith the following details:

·        a brief description of the software you have developed or are
developing - i.e. what it does, in which field, how many users, relevant
publications, etc.

·        programming language(s) you are specifically interested in
(Python examples and tutorials will be provided)

·        how you would benefit from this workshop

·        any specific topics or questions you would like to see
addressed in the workshop

If the workshop is oversubscribed, we will select participants based on
the information provided.

You will be informed by the end of June if you have been selected for
the workshop or not.


==== Prerequisites?

Basic programming experience in use of REST API’s. Bring your own laptop
with git and iPython notebook pre-installed if you want to follow the
Python tutorial and examples. If you need to make plots, make sure that
matplotlib is also installed.

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