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Difference between revisions of "Bioinformatics"
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* [http://www.mpiblast.org/ mpiBLAST] is a freely available, open-source, parallel implementation of [http://www.ncbi.nih.gov/blast/ NCBI BLAST]. By efficiently utilizing distributed computational resources through database fragmentation, query segmentation, intelligent scheduling, and parallel I/O, mpiBLAST improves NCBI BLAST performance by several orders of magnitude while scaling to hundreds of processors. mpiBLAST is also portable across many different platforms and operating systems. Lastly, a renewed focus and consolidation of the many codebases has positioned mpiBLAST to continue to be of high utility to the bioinformatics community. | * [http://www.mpiblast.org/ mpiBLAST] is a freely available, open-source, parallel implementation of [http://www.ncbi.nih.gov/blast/ NCBI BLAST]. By efficiently utilizing distributed computational resources through database fragmentation, query segmentation, intelligent scheduling, and parallel I/O, mpiBLAST improves NCBI BLAST performance by several orders of magnitude while scaling to hundreds of processors. mpiBLAST is also portable across many different platforms and operating systems. Lastly, a renewed focus and consolidation of the many codebases has positioned mpiBLAST to continue to be of high utility to the bioinformatics community. | ||
* [http://mpihmmer.org/ MPI-HMMER] is an open source MPI implementation of the HMMER protein sequence analysis suite. The main search algorithms, hmmpfam and hmmsearch, have been ported to MPI in order to provide high throughput HMMER searches on modern computational clusters. MPI-HMMER has sophisticated I/O, a self-contained coordinator/worker model, and the easy inclusion of accelerated architectures (e.g. GP-GPUs). | * [http://mpihmmer.org/ MPI-HMMER] is an open source MPI implementation of the HMMER protein sequence analysis suite. The main search algorithms, hmmpfam and hmmsearch, have been ported to MPI in order to provide high throughput HMMER searches on modern computational clusters. MPI-HMMER has sophisticated I/O, a self-contained coordinator/worker model, and the easy inclusion of accelerated architectures (e.g. GP-GPUs). | ||
| − | *[http://www.scripps.edu/mb/olson/doc/autodock/ AutoDock] is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. AutoDock actually consists of two main programs: AutoDock performs the docking of the ligand to a set of grids describing the target protein; AutoGrid re-calculates these grids. | + | *[http://www.scripps.edu/mb/olson/doc/autodock/ AutoDock] is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. AutoDock actually consists of two main programs: AutoDock performs the docking of the ligand to a set of grids describing the target protein; AutoGrid re-calculates these grids. In addition to using them for docking, the atomic affinity grids can be visualised. This can help, for example, to guide organic synthetic chemists design better binders. |
| − | In addition to using them for docking, the atomic affinity grids can be visualised. This can help, for example, to guide organic synthetic chemists design better binders. | ||
Revision as of 20:08, 17 July 2009
- mpiBLAST is a freely available, open-source, parallel implementation of NCBI BLAST. By efficiently utilizing distributed computational resources through database fragmentation, query segmentation, intelligent scheduling, and parallel I/O, mpiBLAST improves NCBI BLAST performance by several orders of magnitude while scaling to hundreds of processors. mpiBLAST is also portable across many different platforms and operating systems. Lastly, a renewed focus and consolidation of the many codebases has positioned mpiBLAST to continue to be of high utility to the bioinformatics community.
- MPI-HMMER is an open source MPI implementation of the HMMER protein sequence analysis suite. The main search algorithms, hmmpfam and hmmsearch, have been ported to MPI in order to provide high throughput HMMER searches on modern computational clusters. MPI-HMMER has sophisticated I/O, a self-contained coordinator/worker model, and the easy inclusion of accelerated architectures (e.g. GP-GPUs).
- AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. AutoDock actually consists of two main programs: AutoDock performs the docking of the ligand to a set of grids describing the target protein; AutoGrid re-calculates these grids. In addition to using them for docking, the atomic affinity grids can be visualised. This can help, for example, to guide organic synthetic chemists design better binders.
