BioExcel CoE Newsletter #8

Dear reader,

Spring is in full swing, summer is around the corner, and we have a lot of exciting news for you!

To begin with: the first official package with our updated core applications is up for grabs: http://bioexcel.eu/bioexcel-first-software-releases. Related, GROMACS has had another patch release, 2016.3.

Powerful applications are not our only specialty - as you know, usability is very important and workflows are another major area of work for BioExcel. We've already deployed and tested some of our pilot cases on a variety of platforms, but more on that in another newsletter.

The important thing now is to make sure and join the next webinar in our series: "Introduction to the Common Workflow Language (CWL)". CWL has been gaining popularity in the wider communities (including the FDA in the USA). BioExcel has been fully involved and supported its development since the beginning. The main developer Michael Crusoe will be happy to answer your questions live during the webinar (register here) . Also, we have a special open chat room especially for workflows. Make sure to drop by!

Work on CWL is part of our close relations with ELIXIR. We have signed a collaborative agreement with them, and we are working together on several joint projects!

If you are following our blog, you might have noticed a new collection of success stories. There we showcase selected works by our partners as examples of what can be achieved with the BioExcel software.

Make sure to checkout also the integrative modelling interest group's page with tips&tricks, interviews, events and notable publications. Also, their latest newsletter just came out recently.

More news is coming soon. In the meantime - for any questions visit the support forums or join the general chat room!

Rossen Apostolov

BioExcel Manager

 

* You are receiving this mail either because you subscribed for the BioExcel's newsletter through the website or you attended one of our webinar events. Since we are organizing regularly more of the latter, we thought you'd like to know about them. You can, of course, always unsubscribe (link is at the bottom) but we hope you'd like to stay in touch.

---
Webinar: "Introduction to the Common Workflow Language (CWL) project" (2017-06-21)

Webinar: "Introduction to the Common Workflow Language (CWL) project" (2017-06-21)

BioExcel’s webinar series continues with Michael Crusoe, CWL Project co-founder & Community Engineer, who will introduce the Common Workflow Language (CWL) project. In July 2016 the CWL team released standards that enable the portable, interoperable, and executable description of command line data analysis tools and workflow made from those tools. These descriptions are enhanced by CWL's first class (but optional) support for …

Read more.

---
BioExcel First Software Releases

BioExcel First Software Releases

The first project releases of the supported codes are out! You can find all the packages here: http://bioexcel.eu/software/code-repositories. All BioExcel-supported new modules are offered under a suitable free open-source license: Lesser GNU General Public License, versions 2.1 (GROMACS and CPMD QM/MM), version 3 (pmx) and either the Apache 2.0 or MIT license (HADDOCK scripts). These all grant you the right …

Read more.

GROMACS Release: 2016.3

GROMACS Release: 2016.3

Hi GROMACS users, The official release of GROMACS 2016.3 is available! This release fixes several issues found since 2016.2, including mdrun hanging at the end of a run with separate PME ranks, and incorporates all the fixes found in the 5.1.4 release, and a few since. We encourage all users of the 2016 series to update to 2016.3. Please see …

Read more.

---
BioExcel announces ELIXIR Partnership

BioExcel announces ELIXIR Partnership

BioExcel is pleased to announce today that it has entered partnership with ELIXIR. Background information BioExcel CoE provides the necessary solutions for long-term support of the biomolecular research communities in academia and industry: fast and scalable software, user-friendly automation workflows and a support base of expert core developers. The main services offered by the center include hands-on training, tailored customization …

Read more.

---
Lights on... Marc Marti-Renom, creator of TADbit

Lights on... Marc Marti-Renom, creator of TADbit

Marc Martí-Renom is a professor at the Catalan Institution for Research and Advanced Studies (ICREA) in Barcelona (Spain). After a Ph.D. in Biophysics from the Autonomous University of Barcelona (UAB) where he worked on protein folding under the supervision of Professors B. Oliva, F.X. Avilés and M. Karplus (Nobel Laureate in 2013), Marc joined the Sali Lab (Rockefeller University, New York - USA) for a …

Read more.

Integrative Modelling IG

This group is for users who have an interest in the structural prediction of biomolecular interactions combining experimental data from various sources with powerful algorithms to generate high-resolution 3D models of the macromolecular complexes. The time has come to ‘combine and conquer’. Every month, a newsletter will be sent to the subscribers with a gathering of the latest news, major-impact …

Read more.

---
ask.bioexcel.eu

Ask.Bioexcel.eu

Ask.Bioexcel.eu, is a forum to support the community for computational biomolecular research in academia and industry, with particular focus on biomolecular simulation and modelling and using high-performance computing (HPC) and high-throughput computing (HTC). Anyone is free to register (sign in with email or your Google/GitHub/Yahoo account), please feel free to ask questions and contribute to the existing threads! …

Read more.

---

Follow us / get in touch!

 

It's all here: http://bioexcel.eu/contact

Notably, you should know about Ask.BioExcel.eu - bookmark that one :)

Twitter, G+, LinkedIn... we're there, see the links at the bottom.

Code repositories - yes, it's Github where we'll keep all new code: https://github.com/bioexcel

Chat channel - drop by our gitter channel for an informal chat: https://gitter.im/bioexcel/general

Video channel - here are the recordings of the webinars!

discourse-logogitter-rounded_corners