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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
(last update : March 1st 2009)
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 powered

4.  Extremely fast development: Globus/SAGA/SAGA python-binding/AppManager/Plone


 

Illustrative diagram showing ultrafast development of Science Gateway with App. Manager

 overview

 

 

 

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