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Bioinformatics Benchmark System 3

Bioinformatics Benchmark System 3


Bioinformatics Benchmark System is a bioinformatics benchmark system for platform performance measurement. more>>
The Bioinformatics Benchmark System is an attempt to build a reasonable testing framework, tests, and data, to enable end users and vendors to probe the performance of their systems.

What we are trying to do is to create a framework for testing, and a core set of tests that all may download and use to probe specific elements of systems performance.

Moreover, the source to these tests are available under GPL, and are hosted on Bioinformatics.org and Scalable Informatics LLC The idea is to enable end users, consumers, systems developers, and others to easily build and use meaningful tests for measurement and tuning reasons.

Joe Landman from Scalable Informatics LLC conceived the idea and wrote the original codes. We are looking for additional benchmark code suggestions, tests, data sets, etc.

Current baseline tests are several NCBI BLAST runs, several HMMer runs, and a variety of others. We plan to include ClustalW, X!Tandem, various chemistry, dynamics, and related tests, as well as several others.

Tests such as LINPACK or HPL simply do not provide meaningful performance indicators or predictive models for high performance informatics. Unfortunately, nor do a number of more recent and focused tests.

This is a problem as LINPACK and HPL specifically test the performance on various matrix operations, where you have effectively regular memory access patterns, and specific mathematical operations.

These codes are most useful for comparison to codes with heavy floating point operations, and interleaved memory traffic. These codes were not designed for comprehensive systems benchmarking, where disk I/O, memory latency, and other factors all contribute to the performance issues.

The best tests are the ones that are most similar to the codes you will run on the machine. The tests themselves should be reasonable approximations to a real execution of your code, using real data. You may need to pare it back in order to get realistic run times.

You should have a reasonable subset of data sizes. A single test does not tell you how your system scales, and one of the reasons for the existance of this test is specifically to allow you to test the performance while you increase various aspects of the workload.

You rarely get a quiescent system in a cluster, so we would recommend that you try to run in as realistic an operating environment as possible. A baseline in a quiescent system is fine, but it may set your expectations unreasonably.
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Added: 2005-08-12 License: GPL (GNU General Public License) Price:
1533 downloads
VLinux Bioinformatics Workbench 1.0

VLinux Bioinformatics Workbench 1.0


VLinux Bioinformatics workbench is a Linux distribution for Bioinformatics. more>>
VLinux Bioinformatics workbench is a Linux distribution for Bioinformatics. It is easy to use, no installation required, CD-based distribution based on Knoppix 3.3.
VLinux Bioinformatics Workbench includes a variety of sequence and structure analysis packages. It is an Open source product released under the GNU GPL License.
Packages:
- EMBOSS
- GDE
- Rasmol
- PyMOL
- GROMACS
- Phylip
- Arka/Genpak
- ClustalW/ClustalX
- TCoffee
- Seaview
- Glimmer
- Mummer
- Garlic
- Ramachandran Plot viewer
- Primer
- XMolCalc
- Babel, NJPlot
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Download (499MB)
Added: 2005-12-28 License: GPL (GNU General Public License) Price:
790 downloads
NeoBio pre-alpha

NeoBio pre-alpha


NeoBio project consists of Bioinformatics algorithms in Java. more>>
NeoBio project consists of Bioinformatics algorithms in Java.

What algorithms? The current version consists mainly of (pairwise) sequence alignment algorithms such as the classical dynamic programming methods of Needleman & Wunsch (global alignment) and Smith & Waterman (local alignment).

Anything else? Yes, a more efficient approach, due to Crochemore, Landau and Ziv-Ukelson is also available.

It uses Lempel-Ziv compression to speed-up the computation of the dynamic programming matrix. It also relies on the SMAWK algorithm, due to Aggarwal et al., that computes all column maxima of a totally monotone matrix in linear time.

Hum... And all sequence alignment algorithms support simple scoring schemes as well as substitution matrices such as standard BLOSUM and PAM matrices. But so far they support constant gap penalty functions only.

Future versions may contain related algorithms such as multiple sequence alignment, database search and protein structure prediction.

Wow...Last but not least, NeoBio also provides a simple GUI and command line based tools to run the sequence alignment algorithms on DNA and protein sequences.
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Added: 2006-10-30 License: GPL (GNU General Public License) Price:
1091 downloads
Bio::Tools::Run::PiseApplication::consensus 1.4

Bio::Tools::Run::PiseApplication::consensus 1.4


Bio::Tools::Run::PiseApplication::consensus is a Perl module. more>>
Bio::Tools::Run::PiseApplication::consensus is a Perl module.

Bioperl class for:

CONSENSUS Identification of consensus patterns in unaligned DNA and protein sequences (Hertz, Stormo)

References:

G.Z. Hertz and G.D. Stormo. Identification of consensus patterns in unaligned DNA and protein sequences: a large-deviation statistical basis for penalizing gaps. In: Proceedings of the Third International Conference on Bioinformatics and Genome Research (H.A. Lim, and C.R. Cantor, editors). World Scientific Publishing Co., Ltd. Singapore, 1995. pages 201--216.

Parameters:

(see also:
http://bioweb.pasteur.fr/seqanal/interfaces/consensus.html
for available values):


consensus (Excl)
Program to run

sequence (Sequence)
Sequences file (-f)
pipe: seqsfile

width (Integer)
Width of pattern (consensus only) (-L)

out (String)

consensus_matrix (String)

complement (Excl)
Complement of nucleic acid sequences (-c)

ascii_alphabet (InFile)
Alphabet and normalization information (if not DNA) (-a)

prior (Switch)
Use the designated prior probabilities of the letters to override the observed frequencies (-d)

dna (Switch)
Alphabet and normalization information for DNA

protein (Switch)
Alphabet and normalization information for protein

queue (Integer)
Maximum number of matrices to save between cycles of the program -- ie: queue size (-q)

standard_deviation (Float)
Number of standard deviations to lower the information content at each position before identifying information peaks (mandatory for wconsensus) (-s)

progeny (Excl)
Save the top progeny matrices (-pr1)

linearly (Switch)
Seed with the first sequence and proceed linearly through the list (-l)

max_cycle_nb (Integer)
Maximum repeat of the matrix building cycle (-n or -N)

max_cycle (Excl)
How many words per matrix for each sequence to contribute (-n or -N)

distance (Integer)
Minimum distance between the starting points of words within the same matrix pattern (-m)

terminate (Integer)
Terminate the program this number of cycles after the current most significant alignment is identified (-t)

terminal_gap (Excl)
Permit terminal gaps (-pg) (wconsensus only)

top_matrices (Integer)
Number of top matrices to print (-pt)

final_matrices (Integer)
Number of final matrices to print (-pf)

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Added: 2006-10-10 License: Perl Artistic License Price:
1109 downloads
Bioperl 1.5.2

Bioperl 1.5.2


Bioperl is a Perl extensions for bioinformatics. more>>
Bioperl project is a collection of perl modules that facilitate the development of perl scripts for bioinformatics applications. As such, it does not include ready to use programs in the sense that many commercial packages and free web-based interfaces do (e.g. Entrez, SRS).
On the other hand, bioperl does provide reusable perl modules that facilitate writing perl scripts for sequence manipulation, accessing of databases using a range of data formats and execution and parsing of the results of various molecular biology programs including Blast, clustalw, TCoffee, genscan, ESTscan and HMMER. Consequently, bioperl enables developing scripts that can analyze large quantities of sequence data in ways that are typically difficult or impossible with web based systems.
In order to take advantage of bioperl, the user needs a basic understanding of the perl programming language including an understanding of how to use perl references, modules, objects and methods. If these concepts are unfamiliar the user is referred to any of the various introductory or intermediate books on perl.
Weve liked S. Holzmers Perl Core Language, Coriolis Technology Press, for example. This tutorial is not intended to teach the fundamentals of perl to those with little or no experience in the perl language. On the other hand, advanced knowledge of perl - such as how to write a object-oriented perl module - is not required for successfully using bioperl.
Bioperl is open source software that is still under active development. The advantages of open source software are well known. They include the ability to freely examine and modify source code and exemption from software licensing fees.
However, since open source software is typically developed by a large number of volunteer programmers, the resulting code is often not as clearly organized and its user interface not as standardized as in a mature commercial product.
In addition, in any project under active development, documentation may not keep up with the development of new features. Consequently the learning curve for actively developed, open source source software is sometimes steep.
Enhancements:
- Many bugfixes and enhancements were made, including support for parsing the latest NCBI BLAST text format changes, PAML 3.15 support, a Taxonomy (Bio::Species) overhaul, a Bio::Map overhaul, a Bio::SearchIO speedup, the introduction of a Build.PL installation system, and fixes for some memory leaks in Bio::Tree.
- This version requires Perl 5.6.1 or later.
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Added: 2006-12-07 License: Artistic License Price:
622 downloads
BioBrew Linux 3.0.2.04

BioBrew Linux 3.0.2.04


BioBrew Linux is an open source Linux distribution based on the NPACI Rocks cluster software and enhanced for bioinformaticists. more>>
BioBrew Linux is an open source Linux distribution that is enhanced for life scientists. It is customized for cluster and bioinformatics computing. It automates cluster installation, includes all the HPC software a cluster enthusiast needs, and contains popular bioinformatics applications.

BioBrew Linux is an open source Linux distribution based on the NPACI Rocks cluster software and enhanced for bioinformaticists and life scientists. While it looks, feels, and operates like ordinary Red Hat Linux, BioBrew Linux includes popular cluster software e.g. MPICH, LAM-MPI, PVM, Modules, PVFS, Myrinet GM, Sun Grid Engine, gcc, Ganglia, and Globus, *and* popular bioinformatics software e.g. the NCBI toolkit, BLAST, mpiBLAST, HMMER, ClustalW, GROMACS, PHYLIP, WISE, FASTA, and EMBOSS.

It runs on everything from notebook computers to large clusters. BioBrew Linux for the Itanium architecture is only available for purchase at this time through Callident. Please contact Brewmeister Glen Otero for information regarding BioBrew Linux on Itanium.
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Added: 2005-05-18 License: GPL (GNU General Public License) Price:
1622 downloads
RepeatFinder 1.0.0

RepeatFinder 1.0.0


RepeatFinder is a console-based bioinformatics tool that searches for repeating stretches of DNA. more>>
RepeatFinder project is a console-based bioinformatics tool that searches for repeating stretches of DNA.

It allows mismatches, but enforces a one to one mapping between sections of DNA and a repeat motif, meaning that a section of DNA cannot be associated with more than one match.

RepeatFinder, after a couple of years of private lab use, is now available for public consumption!

RepeatFinder is a tool for finding repeating segments of DNA called motifs and then parsing them so that no repeating segments overlap - it is an exclusive matching algorithm where any part of the original DNA string is associated with one and only one match.

RepeatFinder has been written to compile and run on Linux and Windows. The source code has been designed to have a minimum of requirements so if you can compile a C program, then hopefully RepeatFinder will work for you even if your OS isnt one of the above. Let me know if you succesfully compile RepeatFinder on another platform.

Further details about the algorithm and how to use the command line tools will be added to this site in due time. In the mean time the first release, 1.0.0, is available for download here. Only source, x86 and x64 linux binaries are currently available. Windows binaries coming soon!
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Added: 2006-07-07 License: GPL (GNU General Public License) Price:
1205 downloads
Bioclipse 1.0.1 / 1.1.3 Beta

Bioclipse 1.0.1 / 1.1.3 Beta


Bioclipse is a rich-client platform chemistry and biology workbench. more>>
Bioclipse is a rich-client platform chemistry and biology workbench. Bioclipse provides access to many open source bioinformatics and chemoinformatics toolkits and has plugins for the Chemistry Development Kit, JChemPaint, Jmol, and BioJava.

General:

Based on Eclipse
Platform independent
Automated update via plugin server

Supported entities:

small molecules
proteins
RNA
DNA
sequences
alignments

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Added: 2007-06-21 License: Eclipse Public License Price:
860 downloads
CLC Free Workbench 4.0

CLC Free Workbench 4.0


Bioinformatics program for DNA, RNA, and protein sequence analysis more>>
CLC Free Workbench creates a software environment enabling users to make basic bioinformatics analyses and smooth data management, combined with excellent graphical viewing and output options.
Main features:
- GenBank searching and viewing (linear and circular views)
- Multiple alignment of DNA, RNA and proteins (2 alignment algorithms)
- Open reading frame determination
- Translation from DNA to proteins (all genetic translation tables)
- Reports with residue composition, molecular weight and iso electric point (for proteins)
- Neighbor-joining and UPGMA phylogenies
- Restriction site analysis and viewing
- Other reporting facilities
- Import/export to a number of data formats
- Launch of external files
- Detailed History Log
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Added: 2007-06-28 License: Freeware Price:
849 downloads
ToBiX 1.0

ToBiX 1.0


ToBiX is a LINUX distribution based on Morphix. more>>
ToBiX is a Morphix-based Linux live CD containing a range of specialist applications for bioinformatics. With this distrubution you just boot from the CD and you have a fully functional LINUX OS distribution with open source applications.
Besides using some RAM, ToBiX doesnt touch the host computer and is ideal for presentations, workshops or other learning or scientific activity on bioinformatics and computational biology.
ToBiX comprises some of the most useful and powerful bioinformatics tools such as:
- Blast 2.0 - Basic Local Alignment Search Tool for rapid searching of nucleotide and protein databases;
- Copasi - software application for simulation and analysis of biochemical networks;
- mpiBLAST - MPI based parallel implementation of NCBI BLAST;
- SimWiz - collection of Java tools for visualization of data resulting from different kinds of biochemical simulation processes;
- Cellware - tool to model whole cell biochemical reactions;
- Gromacs - molecular dynamics simulation package;
- SBML-Editor - tool for the quick creation and edition of SBML files;
- Stocks 2 - software for simulation of biochemical processes using Maximal Time Step Method
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Added: 2006-04-18 License: GPL (GNU General Public License) Price:
1286 downloads
Vigyaan 1.0

Vigyaan 1.0


Vigyaan is a Linux live CD for computational biology and chemistry. more>>
Vigyaan is an electronic workbench for bioinformatics, computational biology and computational chemistry.
It has been designed to meet the needs of both beginners and experts. VigyaanCD is a live Linux CD containing all the required software to boot the computer with ready to use modeling software. VigyaanCD v0.1 is based on KNOPPIX v3.3.
At present the following ready to use software comes on VigyaanCD: Artemis, Bioperl, BLAST (NCBI-tools), ClustalX, Cn3D, EMBOSS tools, Garlic, GROMACS, Ghemical, GNU R, Gnuplot, GIMP, ImageMagick, Jmol, MPQC, NJPlot, Open Babel, Octave, PSI3, PyMOL, Rasmol, Raster3D, SMILE, TINKER, XDrawChem, Xmgr and Xfig. GNU C/C++/Fortran compilers and additional Linux tools (such as ps2pdf) are also available.
VigyaanCD also provides tools required to compile and install other applications (from source). Therefore, making testing of Linux applications possible on computers with other OS.
Enhancements:
- This release is based on KNOPPIX 3.7.
- Most software packages have been updated and new applications added.
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Added: 2005-09-07 License: Freely Distributable Price:
1509 downloads
CoaSim 4.1.0

CoaSim 4.1.0


CoaSim is a tool for simulating the coalescent process with recombination and gene conversion. more>>
CoaSim is a tool for simulating the coalescent process with recombination and geneconversion under various demographic models.
CoaSim effectively constructs the ancestral recombination graph for a given number of individuals and uses this to simulate samples of SNP, micro-satellite, and other haplotypes/genotypes.
The generated sample can afterwards be separated in cases and controls, depending on states of selected individual markers. The tool can accordingly also be used to construct cases and control data sets for association studies.
CoaSim is developed in collaboration between Bioinformatics ApS and Bioinformatics Research Center (BiRC).
CoaSim is written in C++ and Guile Scheme and is available as source code (under the GNU General Public License, GPL) and as binary versions as Linux RPM files. The source code has been successfully compiled on various Linux and UNIX systems, under OS X and under Windows with Cygwin.
As I have only limited access to architectures other than Linux, it is not possible for me to make binary distributions for other platforms, but if anyone is willing to build the distributions I will be more than happy to put them on this site.
Enhancements:
- Callbacks for population structure events (bottlenecks, migration, etc.) have been added.
- A major bug that caused the starting and ending times of epochs to be wrong in some cases (starting too late or never terminating) has been fixed.
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Added: 2006-02-09 License: GPL (GNU General Public License) Price:
1352 downloads
EnsEMBL::Web::Record 1.01

EnsEMBL::Web::Record 1.01


EnsEMBL::Web::Record is a family of modules used for managing a users persistant data in a database. more>>
EnsEMBL::Web::Record is a family of modules used for managing a users persistant data in a database.

SYNOPSIS

Many web sites now encourage users to register and login to access more advanced features, and to customise a site to their needs.

The EnsEMBL::Web::Record group of Perl modules is design to manage any arbitrary type of user created data in an SQL database. This module follows the Active Record design pattern, in that each new instantiated Record object represents a single row of a database.

That object can be manipulated programatically, and any changes made can be stored in the database with a single record->save function call.

Because arbitrary Perl data structures can be stored in this manner, EnsEMBL::Web::Record allows user preferences to be easily saved, and allows developers to implement new featurs quickly.

This module was first used (and has been abstracted from) the Ensembl genome browser (http://www.ensembl.org).

New user data can be added to the database:

use EnsEMBL::Web::Record;

my $bookmark = EnsEMBL::Web::Record->new();
$bookmark->url(http://www.ensembl.org);
$bookmark->name(Ensembl);
$bookmark->save;
...

The Record can be associated with an user id:

$record->user($id);

The same record can also be removed:

$bookmark->delete;

EnsEMBL::Web::Record also provides a number of methods for getting collections of records from the database, using a field selector.

EnsEMBL::Web::Record::find_bookmarks_by_user_id($id).

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Added: 2007-02-22 License: Perl Artistic License Price:
974 downloads
ClusterControl 2.0

ClusterControl 2.0


ClusterControl project is a web-interface to simplify distributing and monitoring bioinformatics applications on Linux clusters. more>>
ClusterControl project is a web-interface to simplify distributing and monitoring bioinformatics applications on Linux cluster systems.

This software is based on a modular concept that enables integration of command-line oriented programs into the application framework of ClusterControl. The system enables integration of different applications accessed through one interface and executed on a distributed cluster system.

The use of wide spread and freely available technologies like Apache as web-server, PHP as server-side scripting-language and OpenPBS or Sun Grid Engine (SGE) as queuing system enables straightforward installation on common operating systems.

Installation:

For local installation, ClusterControl requires a running installation of the web server Apache (http://www.apache.org) with PHP(Version 4) and LDAP support, that comes with nearly every Linux distribution, and a local installation of the queuing system Open Portable Batch System (PBS) which can be downloaded from http://www.openpbs.org or Sun Grid Engine (SGE) which is available at http://gridengine.sunsource.net.

If an LDAP-Server is already available for user-management of the cluster it can be easily integrated by modifying the configuration file. To activate the monitoring mechanism of ClusterControl a status collecting server-process must be started on every cluster node. With the adaptation of one well documented configuration file the installation process is completed.
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Added: 2006-03-08 License: GPL (GNU General Public License) Price:
1326 downloads
DNALinux 0.5b (592)

DNALinux 0.5b (592)


DNALinux is a Linux distribution with bioinformatics software pre-installed. more>>
DNALinux is a Linux distribution with bioinformatics software pre-installed.
We believe that this distro fills an empty niche. Specialized biotech software usually is released as source code only and its not packaged for easy installation on "mainstream" Linux.
Most scientific software is "author software" and it is not easy to install (that is particulary true for Biotech people). As we told before, all the software is pre-installed. Since the distro works from CD, you dont even have to install the operation system.
Since is a live-CD, no permanent changes can be made to your system (unless you make a hard disk install). Its not easy to apply a security patch to this kind of distros, thats why you shouldnt used under a "raw" (unprotected) Internet conection.
So you are advised to use it inside a trusted network.If you want a Linux distro to act as a firewall, we recommend SmoothWall.
Enhancements:
- The server edition features a live NCBI BLAST server.
- The H5N1 genomic sequence is included, but you can install you own sequence database.
- This version is based on Slax 5.10 and Apache 2.
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Download (511MB)
Added: 2006-04-19 License: GPL (GNU General Public License) Price:
1284 downloads
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