Partnership between BioExcel and Open PHACTS Foundation
We are very pleased to announce that BioExcel has recently formed a strategic partnership with the Open PHACTS Foundation. The foundation provides the Open PHACTS Discovery Platform, which has matured since 2011 into an important source of publicly available pharmacological linked data in a single integrated and open infrastructure. Open PHACTS supports data standards, interoperability […]
Read More
Webinar: “How to choose compute resources for your team” (2017-03-08)
Discuss this webinar View slides on SlideShare Join Interest Group BioExcel’s webinar series continued on 8th March with Lee Larcombe from ELIXIR-UK and the University of Edinburgh, who took us through the benefits and challenges of using local compute resources. Starting from some things to consider when resourcing your research, to what can feasibly be done on a […]
Read More
Postdoctoral Position in Molecular Dynamics, FZ Jülich
BioExcel partner IAS-5/INM-9 at the Forschungszentrum Jülich (Germany) is looking for a talented young researcher with a PhD degree in physics, theoretical chemistry, applied mathematics, or in a related field, for a postdoctoral position on Molecular Dynamics-based Estimation of Parameters for Subcellular Modelling. In particular, the postdoc will characterize microscopic processes occurring in the neuronal cascades […]
Read More
HADDOCK, DISVIS and POWERFIT join the EGI community
We are pleased to announce that the HADDOCK, DISVIS and POWERFIT services have become part of the EGI Foundation community of services. EGI is a pan-European and worldwide publicly funded e-Infrastructure providing high-performance computing resources to researchers, fostering innovation and discovery. The e-infrastructure comprises over 300 different data centres, and gives users access to over 700,000 […]
Read More
New GROMACS Release: 2016.2
The official release of GROMACS 2016.2 is available! This release fixes several issues found since 2016, 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 2016.2. Please see the link to the release notes below for more details. You […]
Read More
Parse and manipulate PDB files with shell and PyMol
Many tasks we are performing in Integrative Modelling involve 3D structures of molecules. Visualising them, modifying them to fit a particular program requirements or just parsing them to analyse them can sometimes be time-consuming. We are presenting here two approaches to quickly and easily manipulate PDB files. Shell scripting (based on PDB-tools suite) Several short and efficient python […]
Read More