Wide Search Molecular ReplacementWSMR searches up to 100,000 domains for molecular replacement models given X-ray structure factors.
Deformable Elastic NetworkDEN produces high resolution structures from low resolution X-Ray data by only refining known restraints and the use of homology models.
SBGrid ConsortiumSBGrid provides a distribution of over 200 scientific software packages with monthly updates to member labs.
The SBGrid Science Portal provides access to web-enabled structural biology applications, data sharing facilities, biological data sets, and other resources valuable to the computational structural biology community. This is in addition to the core SBGrid program of software distribution and scientific computing technical support.
SBGrid has been funded by the NSF to encourage the adoption of advanced computational methods, grid computing facilities, and collaborative data-sharing systems within two communities:
- Structrual biology labs which are part of the SBGrid consortium
- Biomedical researchers in New England
As such, we provide the following services and facilities:
- Consulting expertise to enable advanced computational methods for researchers who are in need.
- Issuance of digital certificates and Virtual Organization membership to enable grid access.
- Access to shared data storage facilities with user-driven access control.
- Access to large scale compute clusters, either locally (within SBGrid) or nationally (via Open Science Grid).
- Assistance commissioning grid computing resources or deployment of applications onto a grid infrastructure.
- Development of novel workflows.
- Deployment of web-based interfaces to applications and workflows.
- Quarterly and annual training events.
- Monthly seminars on HPC and Grid computing.
NEBioGrid is a consortium of bio-medical researchers in the New England area and is hosted at Harvard Medical School by the Sliz Lab, in cooperation with the SBGrid Core team. The consortium has four main goals:
- Share experience, requirements and best practice for federated, collaborative e-Science
- Facilitate access to shared cyberinfrastructure, such as Open Science Grid and TeraGrid.
- Provide a web portal interface to shared cyberinfrastructure
- Develop and deploy tools and computational workflows specific to our community