Welcome to Bioinformatics/Biocomputing Information Repository
Overview
(For any questions regarding this site, HPC resources and applications installed in LONI, you can contact us.)
In this site, you will find
- Information about computing resources/application packages available on LONI (www.loni.org) High Performance Computing (HPC) systems
- Useful links for bioinformatics/biocomputing tools
- Science gateway providing LONI resources (HPC systems and scientific applications for biocomputing). MrBayes, a Bayesian Inference of Phylogeny program, and NAMD, a scalable molecular dynamics simulation packages are planned to be available in the near future. (To use this service, you must register. For any questions, contact us.)
NEWS:
Presentation materials from the 2nd LBRN Computational Biology Workshop are available from here.
Getting Started
For information about
- How to get an account and an allocation on LONI machines : Find information here
- How to get LONI grid certificate : Find information here
LONI HPC Systems and Available Software
LONI Systems INFO : http://www.loni.org/systems/help/ LONI Documentation : https://docs.loni.org/wiki/Main_Page
| HPC name (ip address) |
Description (# of cpus, Local Scheduler) |
Available Software |
|---|---|---|
| QUEENBEE (qb1.loni.org) |
Linux Cluster (5442, PBS) |
NAMD 2.6, AMBER 10.0, LAMMPS (21 May 2008), Gromacs 3.3, PHYLIP, mpiBlast (1.5.0-PIO), clustalw-mpi, MrBayes |
| ERIC (eric.loni.org) |
Linux Cluster (512, PBS) |
NAMD 2.6. GROMACS 3.3, LAMMPS (21 May 2008) |
| OLIVER (oliver.loni.org) |
Linux Cluster (512, PBS) | NAMD 2.6, GROMACS 3.3, LAMMPS (21 May 2008), MrBayes 3.1.2 |
| LOUIE (louie.loni.org) |
Linux Cluster (512, PBS) | NAMD 2.6, GROMACS 3.3, LAMMPS (21 May 2008), MrBayes 3.1.2 |
| POSEIDON (poseidon.loni.org) |
Linux Cluster (512, PBS) | NAMD 2.6, GROMACS 3.3, LAMMPS (21 May 2008), MrBayes 3.1.2 |
| PAINTER (painter.loni.org) |
Linux Cluster (512, PBS) | Software information will be updated |
| BLUEDAWG (bluedawg.loni.org) |
IBM P5 AIX Cluster (112, LL) |
LAMMPS (22 June 2007), VMD1.8.6 |
| DUCKY (ducky.loni.org) |
IBM P5 AIX Cluster (112, LL) | AMBER 8.0, LAMMPS (21 May 2008), VMD1.8.6 |
| ZEKE (zeke.loni.org) |
IBM P5 AIX Cluster (112, LL) | LAMMPS (21 May 2008), VMD1.8.6 |
| NEPTUNE (neptune.loni.org) |
IBM P5 AIX Cluster (112, LL) | LAMMPS (21 May 2008), VMD1.8.6 |
| LACUMBA (lacumba.loni.org) |
IBM P5 AIX Cluster (112, LL) | Software information will be updated |
To see software-wise table, click here Software Table
Useful Links for Bioinformatics/Biocomputing
NAMD on LONI Linux Cluster
Sequence Alignment and Phylogeny tools
mplBLAST : http://www.mpiblast.org clustal-mpi : http://www.bii.a-s tar.edu.sg/achievements/applications/clustalw/download.php
Tcoffee and more :
http://tcoffee.vital-it.ch/cgi-bin/Tcoffee/tcoffee_cgi/index.cgi
PHYLIP : http://evolution.genetics.washington.edu/phylip.html PAML : http://abacus.gene.ucl.ac.uk/software/paml.html PAUP : http://paup.csit.fsu.edu/ MrBayes : http://mrbayes.csit.fsu.edu BAli-Phy : http://www.biomath.ucla.edu/msuchard/bali-phy/ ARB project : http://www.arb-home.de/ Silva project : http://www.arb-silva.de/
RNA Sequence and Structure Analysis
Nucleic Acid Database (NDB) : http://ndbserver.rutgers.edu/index.html Prediction Software : http://en.wikipedia.org/wiki/List_of_RNA_structure_prediction_software RNA related software : (The RNA World Web Site) http://www.fli-leibniz.de/RNA.html#Software
Molecular Dynamics
AMBER : http:///amber.scripps.edu/ NAMD : http://www.ks.uiuc.edu/Research/namd/ GROMACS : http://www.gromacs.org LAMMPS : http://lammps.sandia.gov/ TINKER : http://dasher.wustl.edu/tinker/
Docking
AutoDock : http://autodock.scripps.edu/ AutoDock Vina : http://vina.scripps.edu/ UCSF DOCK : http://dock.compbio.ucsf.edu/
Bioinformatics Portals
Mobyle Project : http://bioweb2.pasteur.fr/projects/mobyle/ Renaissance Computing Institute (RENCI) Bioportal : http://www.renci.org/resources/software/bioportal.php SWAMI, Next Generation Biology Workbench : http://www.ngbw.org/ Life Science Gateway (A teragrid science gateway) : http://lsgw.mcs.anl.gov/ Teragrid Science Gateways : http://www.teragrid.org/programs/sci_gateways SimBios (NIH Center for Biomedical Computation at Stanford U.) : http://simbios.stanford.edu
Data Mining Tools
Weka : http://www.cs.waikato.ac.nz/ml/weka/ R : http://www.r-project.org/
Structure Visualization Tools
VMD : http://www.ks.uiuc.edu/Research/vmd/ PyMOL : http://www.pymol.org UCSF Chimera : http://www.cgl.ucsf.edu/chimera/ COOT : http://www.ysbl.york.ac.uk/~emsley/coot/
Miscellanies
Sequence utils (conversion) : http://searchlauncher.bcm.tmc.edu/seq-util/Options/readseq.html
Additional Useful Links
PDB database : http://www.rcsb.org/pdb/home/home.do
Other HPC systems with CCT
| HPC |
Description |
Softwares |
|---|---|---|
| Tezpur | Dell Linux Cluster (1440, PBS) |
NAMD 2.6, GROMACS 3.3, LAMMPS (22 June 2007), APBS 0.5, ClustalW2.0, PHYLIP |
| Pelican | IBM pSeries AIX cluster |
PHYLIP |
| Santaka | SGI Prism with 128 GB |
PHYLIP |
| CydWS | Sun X86 (4 core) with 8GB | PHYLIP, CLUSTALW2.0, MrBayes, ... |
(Note) To use these LSU owned systems, please contact us.
Our Science Gateway Development for LBRN community
Application Manager for Scientific Computing
GOAL : Provide a researcher-oriented biocomputing/bioinformatics cyberinfrastructure with the production computational grid.
-> I WANT to run "NAMD or MrBayes or AutoDock or bioinformatics tools" that are installed in LONI HPC machines without any knowledge on computational details except my scientific date such as inputs and outputs.
HOW?
1. Lightweight and scientific application-driven middleware component for Science Gateway
2. Distributed computing friendly (Louisiana Optical Network Initiative (LONI))
3. Modular, Flexible, and SAGA powered4. Extremely fast development: Globus/SAGA/SAGA python-binding/AppManager/Plone
Illustrative diagram showing ultrafast development of Science Gateway with App. Manager


