Debian Med Cloud packages

ABySS jest nowym, równoległym asemblerem sekwencji, przeznaczonym do krótkich odczytów. Może być używany do złożenia danych genomu lub transkryptomeksji. Równoległość osiągana jest za pomocą: MPI, OpenMP i pthread.

Pakiet pobiera wszystkie te, niewielkie aplikacje, które pobiera acedb w ramach drugiego celu ze swojego pliku Makefile.

Narzędzie efetch: (przypuszczalnie skrót od "entry fetch") gromadzi informacje dotyczące sekwencji z powszechnych baz danych DNA i białek.

Aevol is a digital genetics model: populations of digital organisms are subjected to a process of selection and variation, which creates a Darwinian dynamics.

By modifying the characteristics of selection (e.g. population size, type of environment, environmental variations) or variation (e.g. mutation rates, chromosomal rearrangement rates, types of rearrangements, horizontal transfer), one can study experimentally the impact of these parameters on the structure of the evolved organisms. In particular, since Aevol integrates a precise and realistic model of the genome, it allows for the study of structural variations of the genome (e.g. number of genes, synteny, proportion of coding sequences).

The simulation platform comes along with a set of tools for analysing phylogenies and measuring many characteristics of the organisms and populations along evolution.

Alien_hunter is an application for the prediction of putative Horizontal Gene Transfer (HGT) events with the implementation of Interpolated Variable Order Motifs (IVOMs). An IVOM approach exploits compositional biases using variable order motif distributions and captures more reliably the local composition of a sequence compared to fixed-order methods. Optionally the predictions can be parsed into a 2-state 2nd order Hidden Markov Model (HMM), in a change-point detection framework, to optimize the localization of the boundaries of the predicted regions. The predictions (embl format) can be automatically loaded into Artemis genome viewer freely available at: http://www.sanger.ac.uk/Software/Artemis/.

ALTree został zaprojektowany do wykrywania związku oraz wyszukiwania miejsc podatnych na zakażenie przy użyciu drzew filogenetycznych haplotypu: po pierwsze, umożliwia wykrycie związku pomiędzy genem kandydującym a chorobą, i po drugie, pozwala na postawienie hipotezy na temat podatności loci.

AMAP jest narzędziem wiersza poleceń do wykonywania wielu wyrównań sekwencji peptydowych. Wykorzystuje dekodowanie typu posterior oraz wyrównywanie wyżarzonych sekwencji zamiast tradycyjnej metody stopniowego wyrównywania. Jest to jedyny program do kontrolowania czułości i specyficzności. Opiera się na kodzie źródłowym programu ProbCons, ale w odróżnieniu od niego korzysta z metody AMC (Alignment Metric Accuracy) i eliminuje przekształcanie konsystencji.

Narzędzie do wizualizacji AMAP 2.2 (napisane w języku Java) nie zostało jeszcze spakowane dla systemu Debian.

AmpliconNoise to pakiet programów do czyszczenia danych sekwencyjnych * wysokiej przepustowości. Składa się z trzech głównych części:

Pyronoise - wykonuje klastrowanie oparte na flowgramie w celu wykrycia

            błędnych odczytów.
SeqNoise  - usuwa mutacje punktowe PCR.

Perseus - usuwa chimery PCR bez konieczności stosowania zestawu

            sekwencji referencyjnych.

Wcześniej istniał niezależny "Pyronoise", napisany przez tych samych autorów, a ten pakiet zawiera zaktualizowaną wersję. W Qiime występuje również "Denoiser", który jest z nim powiązany, ale odrębny.

Anfo is a mapper in the spirit of Soap/Maq/Bowtie, but its implementation takes more after BLAST/BLAT. It's most useful for the alignment of sequencing reads where the DNA sequence is somehow modified (think ancient DNA or bisulphite treatment) and/or there is more divergence between sample and reference than what fast mappers will handle gracefully (say the reference genome is missing and a related species is used instead).

The program employs heuristic algorithms to predict tRNA secondary structure, based on homology with recognized tRNA consensus sequences and ability to form a base-paired cloverleaf. tmRNA genes are identified using a modified version of the BRUCE program.

ARDEN (Artificial Reference Driven Estimation of false positives in NGS data) is a novel benchmark that estimates error rates based on real experimental reads and an additionally generated artificial reference genome. It allows the computation of error rates specifically for a dataset and the construction of a ROC-curve. Thereby, it can be used to optimize parameters for read mappers, to select read mappers for a specific problem or also to filter alignments based on quality estimation.

AutoDock is a prime representative of the programs addressing the simulation of the docking of fairly small chemical ligands to rather big protein receptors. Earlier versions had all flexibility in the ligands while the protein was kept rather ridgid. This latest version 4 also allows for a flexibility of selected sidechains of surface residues, i.e., takes the rotamers into account.

The AutoDock program performs the docking of the ligand to a set of grids describing the target protein. AutoGrid pre-calculates these grids.

AutoDock Vina is a program to support drug discovery, molecular docking and virtual screening of compound libraries. It offers multi-core capability, high performance and enhanced accuracy and ease of use.

The same institute also developed autodock, which is widely used.

O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 (2010) 455-461

AutoDockSuite zajmuje się analizą molekularną dokowania mniejszych związków chemicznych do ich receptorów o znanej strukturze trójwymiarowej.

Program AutoGrid wykonuje wstępne obliczenia w celu dokowania ligandu do zestawu siatek opisujących wpływ białka na ładunki punktowe. Wpływ tych sił na ligand jest następnie analizowany przez program AutoDock.

BamTools facilitates research analysis and data management using BAM files. It copes with the enormous amount of data produced by current sequencing technologies that is typically stored in compressed, binary formats that are not easily handled by the text-based parsers commonly used in bioinformatics research.

BamTools provides both a C++ API for BAM file support as well as a command-line toolkit.

This is the bamtools command-line toolkit.

Available bamtools commands:

 convert  Converts between BAM and a number of other formats
 count    Prints number of alignments in BAM file(s)
 coverage Prints coverage statistics from the input BAM file
 filter   Filters BAM file(s) by user-specified criteria
 header   Prints BAM header information
 index    Generates index for BAM file
 merge    Merge multiple BAM files into single file
 random   Select random alignments from existing BAM file(s), intended more
          as a testing tool.
 resolve  Resolves paired-end reads (marking the IsProperPair flag as needed)
 revert   Removes duplicate marks and restores original base qualities
 sort     Sorts the BAM file according to some criteria
 split    Splits a BAM file on user-specified property, creating a new BAM
          output file for each value found
 stats    Prints some basic statistics from input BAM file(s)

The BEDTools utilities allow one to address common genomics tasks such as finding feature overlaps and computing coverage. The utilities are largely based on four widely-used file formats: BED, GFF/GTF, VCF, and SAM/BAM. Using BEDTools, one can develop sophisticated pipelines that answer complicated research questions by streaming several BEDTools together.

The groupBy utility is distributed in the filo package.

Projekt Bioperl ma na celu zebranie metod obliczeniowych rutynowo stosowanych w bioinformatyce w zestaw standardowych, dobrze udokumentowanych i swobodnie dostępnych modułów Perla w stylu CPAN. Jest dobrze przyjęty w całej społeczności i używany w wielu głośnych projektach, takich jak Ensembl.

Pakiety zalecane potrzebne są do uruchomienia niektórych plików binarnych. Szczegółowe wyjaśnienia, obejmujące konkretne moduły Perla, można znaleźć w README.Debian.

Proponowany pakiet zwiększa zawartość stron podręcznika.

Pakiet zawiera skrypty z pakietu BioPerl-Run. Instaluje on również wszystkie nakładkowe aplikacje pakowane w Debianie. Aplikacje, które nie są wolne są "Sugerowane" przez ten pakiet.

SQUID to biblioteka funkcji napisanych w języku C, służąca do analizowania sekwencji biologicznych. Zawiera również wiele małych programów użytkowych do konwertowania, przedstawiania statystyk, zarządzania i wykonywania innych zadań na plikach sekwencji biologicznych.

Oryginalna nazwa pakietu to "squid", ale z uwagi na to, że pakiet o tej samej nazwie znajduje się już w archiwum (na serwerze pośredniczącym), został przemianowany na "biosquid".

Pakiet zawiera kilka narzędzi, mających na celu zademonstrowanie funkcji biblioteki SQUID.

This is a transitional dummy package for ncbi-blast+-legacy. It can safely be removed.

This package addresses the problem to interpret the results from the latest (2010) DNA sequencing technologies. Those will yield fairly short stretches and those cannot be interpreted directly. It is the challenge for tools like Bowtie to give a chromosomal location to the short stretches of DNA sequenced per run.

Bowtie aligns short DNA sequences (reads) to the human genome at a rate of over 25 million 35-bp reads per hour. Bowtie indexes the genome with a Burrows-Wheeler index to keep its memory footprint small: typically about 2.2 GB for the human genome (2.9 GB for paired-end).

is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences. It is particularly good at aligning reads of about 50 up to 100s or 1,000s of characters, and particularly good at aligning to relatively long (e.g. mammalian) genomes.

Bowtie 2 indexes the genome with an FM Index to keep its memory footprint small: for the human genome, its memory footprint is typically around 3.2 GB. Bowtie 2 supports gapped, local, and paired-end alignment modes

Boxshade is a program for creating good looking printouts from multiple-aligned protein or DNA sequences. The program does not perform the alignment by itself and requires as input a file that was created by a multiple alignment program or manually edited with respective tools.

Boxshade reads multiple-aligned sequences from either PILEUP-MSF, CLUSTAL-ALN, MALIGNED-data and ESEE-save files (limited to a maximum of 150 sequences with up to 10000 elements each). Various kinds of shading can be applied to identical/similar residues. Output is written to screen or to a file in the following formats: ANSI/VT100, PS/EPS, RTF, HPGL, ReGIS, LJ250-printer, ASCII, xFIG, PICT, HTML

BWA is a software package for mapping low-divergent sequences against a large reference genome, such as the human genome. It consists of three algorithms: BWA-backtrack, BWA-SW and BWA-MEM. The first algorithm is designed for Illumina sequence reads up to 100bp, while the rest two for longer sequences ranged from 70bp to 1Mbp. BWA-MEM and BWA-SW share similar features such as long-read support and split alignment, but BWA-MEM, which is the latest, is generally recommended for high-quality queries as it is faster and more accurate. BWA-MEM also has better performance than BWA-backtrack for 70-100bp Illumina reads.

Cassiopee index and search library C implementation. It is a complete rewrite of the ruby Cassiopee gem. It scans an input genomic sequence (dna/rna/protein) and search for a subsequence with exact match or allowing substitutions (Hamming distance) and/or insertion/deletions.

This package contains the cassiopee and cassiopeeknife tools.

Pakiet cd-hit zawiera szereg programów przeznaczonych do szybkiego grupowania sekwencji. cd-hit grupuje białka w klastry, które spełniają zdefiniowany przez użytkownika próg podobieństwa. cd-hit-est jest podobny do cd-hit, ale przeznaczony do grupowania sekwencji nukleotydowych (bez intronów). cd-hit-est-2d jest podobny do cd-hit-2d, ale przeznaczony do porównywania dwóch zestawów danych nukleotydów. W tym pakiecie znajduje się również wiele innych powiązanych programów. Więcej informacji można znaleźć w podręczniku użytkownika cd-hit, który również jest częścią tego pakietu.

CDB (Constant DataBase) może służyć do tworzenia indeksów, które umożliwiają szybkie wyszukiwanie dowolnych specyficznych sekwencji z dużych plików multi-FASTA. Posiada opcję kompresji rekordów danych w celu zaoszczędzenia miejsca.

Circos służy do wizualizacji danych w układzie kołowym — jest idealny do eksploracji relacji między obiektami lub pozycjami, oraz tworzenia grafiki nadającej się do publikowania o wysokiej jakości informacyjnej.

Pakiet udostępnia mechanizm plotujący Circos, który jest uruchamiany z wiersza poleceń (tak jak gnuplot) i w pełni obsługujący skrypty.

Clearcut jest referencyjną implementacją algorytmu RNJ (Relaxed Neighbor Joining) autorstwa J. Evansa, L. Shenemana i J. Fostera z IBEST (Initiative for Bioinformatics and Evolutionary Studies) na Uniwersytecie Idaho.

ClonalFrame identifies the clonal relationships between the members of a sample, while also estimating the chromosomal position of homologous recombination events that have disrupted the clonal inheritance.

ClonalFrame can be applied to any kind of sequence data, from a single fragment of DNA to whole genomes. It is well suited for the analysis of MLST data, where 7 gene fragments have been sequenced, but becomes progressively more powerful as the sequenced regions increase in length and number up to whole genomes. However, it requires the sequences to be aligned. If you have genomic data that is not aligned, it is recommend to use Mauve which produces alignment of whole bacterial genomes in exactly the format required for analysis with ClonalFrame.

Clustal Omega is a general-purpose multiple sequence alignment (MSA) program, primarily for amino-acid sequences. It produces high quality MSAs and is capable of handling data sets of hundreds of thousands of sequences in reasonable time, using multiple processors where available.

This program performs an alignment of multiple nucleotide or amino acid sequences. It recognizes the format of input sequences and whether the sequences are nucleic acid (DNA/RNA) or amino acid (proteins). The output format may be selected from in various formats for multiple alignments such as Phylip or FASTA. Clustal W is very well accepted.

The output of Clustal W can be edited manually but preferably with an alignment editor like SeaView or within its companion Clustal X. When building a model from your alignment, this can be applied for improved database searches. The Debian package hmmer creates such in form of an HMM.

ConCavity predicts protein ligand binding sites by combining evolutionary sequence conservation and 3D structure.

ConCavity takes as input a PDB format protein structure and optionally files that characterize the evolutionary sequence conservation of the chains in the structure file.

The following result files are produced by default:

• Residue ligand binding predictions for each chain (*.scores).
• Residue ligand binding predictions in a PDB format file (residue scores placed in the temp. factor field, *_residue.pdb).
• Pocket prediction locations in a DX format file (*.dx).
• PyMOL script to visualize the predictions (*.pml).

This package provides score_conservation(1), a tool to score protein sequence conservation.

The following conservation scoring methods are implemented:

• sum of pairs
• weighted sum of pairs
• Shannon entropy
• Shannon entropy with property groupings (Mirny and Shakhnovich 1995, Valdar and Thornton 2001)
• relative entropy with property groupings (Williamson 1995)
• von Neumann entropy (Caffrey et al 2004)
• relative entropy (Samudrala and Wang 2006)
• Jensen-Shannon divergence (Capra and Singh 2007)

A window-based extension that incorporates the estimated conservation of sequentially adjacent residues into the score for each column is also given. This window approach can be applied to any of the conservation scoring methods.

The program accepts alignments in the CLUSTAL and FASTA formats.

The sequence-specific output can be used as the conservation input for concavity.

Conservation is highly predictive in identifying catalytic sites and residues near bound ligands.

GNU Datamash to program wiersza poleceń, który wykonuje podstawowe operacje numeryczne, tekstowe i statystyczne na wejściowych plikach z danymi tekstowymi. Został zaprojektowany tak, aby był przenośny i niezawodny oraz pomagał naukowcom w łatwej automatyzacji potoków analitycznych bez pisania kodu czy nawet krótkich skryptów.

DIALIGN2 to narzędzie używane w wierszu poleceń do wykonywania wielu dopasowań sekwencji białek lub DNA. Tworzy ono dopasowania z pozbawionych przerw par podobnych segmentów sekwencji. Ten schemat punktacji dla dopasowań stanowi podstawową różnicę pomiędzy DIALIGN a innymi globalnymi lub lokalnymi metodami dopasowania sekwencji. Należy pamiętać, że DIALIGN nie ocenia wyniku gorzej w przypadku przerw.

DIALIGN-TX is a command line tool to perform multiple alignment of protein or DNA sequences. It is a complete reimplementation of the segment-base approach including several new improvements and heuristics that significantly enhance the quality of the output alignments compared to DIALIGN 2.2 and DIALIGN-T. For pairwise alignment, DIALIGN-TX uses a fragment-chaining algorithm that favours chains of low-scoring local alignments over isolated high-scoring fragments. For multiple alignment, DIALIGN-TX uses an improved greedy procedure that is less sensitive to spurious local sequence similarities.

Software discoSnp is designed for discovering Single Nucleotide Polymorphism (SNP) from raw set(s) of reads obtained with Next Generation Sequencers (NGS).

Note that number of input read sets is not constrained, it can be one, two, or more. Note also that no other data as reference genome or annotations are needed.

The software is composed by two modules. First module, kissnp2, detects SNPs from read sets. A second module, kissreads, enhance the kissnp2 results by computing per read set and for each found SNP:

 1) its mean read coverage
 2) the (phred) quality of reads generating the polymorphism.

This program is superseded by DiscoSnp++.

'disulfinder' is for predicting the disulfide bonding state of cysteines and their disulfide connectivity starting from sequence alone. Disulfide bridges play a major role in the stabilization of the folding process for several proteins. Prediction of disulfide bridges from sequence alone is therefore useful for the study of structural and functional properties of specific proteins. In addition, knowledge about the disulfide bonding state of cysteines may help the experimental structure determination process and may be useful in other genomic annotation tasks.

'disulfinder' predicts disulfide patterns in two computational stages: (1) the disulfide bonding state of each cysteine is predicted by a BRNN-SVM binary classifier; (2) cysteines that are known to participate in the formation of bridges are paired by a Recursive Neural Network to obtain a connectivity pattern.

dnaclust is a tool for clustering large number of short DNA sequences. The clusters are created in such a way that the "radius" of each clusters is no more than the specified threshold.

The input sequences to be clustered should be in Fasta format. The id of each sequence is based on the first word of the seqeunce in the Fasta format. The first word is the prefix of the header up to the first occurrence of white space characters in the header.

DSSP to aplikacja służąca do ustalania drugorzędowej struktury białka w oparciu o jego rozpoznaną trójwymiarową strukturę (3D).

Ta wersja (4.2) DSSP to nowa wersja, która domyślnie zapisuje pliki mmCIF z adnotacjami, ale nadal może tworzyć pliki w starszym formacie dssp. Nowością jest również obsługa helis PP.

The DOMAINATRIX programs were developed by Jon Ison and colleagues at MRC HGMP for their protein domain research. They are included as an EMBASSY package as a work in progress.

Applications in the current domainatrix release are cathparse (generates DCF file from raw CATH files), domainnr (removes redundant domains from a DCF file), domainreso (removes low resolution domains from a DCF file), domainseqs (adds sequence records to a DCF file), domainsse (adds secondary structure records to a DCF file), scopparse (generates DCF file from raw SCOP files) and ssematch (searches a DCF file for secondary structure matches).

Programy z DOMALIGN zostały stworzone przez Jona Isona i jego kolegów z MRC HGMP w celu badania domeny białek. Zostały dołączone do pakietu EMBASSY jako programy będące w trakcie opracowywania.

Aplikacje z aktualnego wydania DOMALIGN to: allversusall (dane podobieństwa sekwencji uzyskane z porównywania każdej ze wszyskimi innymi), domainalign (generuje wyrównania (plik DAF) dla węzłów z pliku DCF), domainrep (zmienia kolejność w pliku DCF, aby identyfikować struktury reprezentatywne) oraz seqalign (rozszerzenie do wyrównywania (plik DAF) sekwencji (plik DHF)).

Programy DOMSEARCH zostały opracowane przez Jona Isona i jego współpracowników z MRC HGMP do badania domen białkowych. Zostały one zawarte w pakiecie EMBASSY jako programy będące w rozwoju.

Programy zawarte w tym wydaniu DOMSEARCH to: seqfraggle (usuwa fragmenty sekwencji z plików DHF), seqnr (usuwa redundancję z plików DHF), seqsearch (generuje trafienia PSI-BLAST (pliki DHF) z plików DAF), seqsort (usuwa niejednoznacznie sklasyfikowane sekwencje z plików DHF) i seqwords (generuje pliki DHF z wyszukiwania słów kluczowych w UniProt).

EMBOSS is a free Open Source software analysis package specially developed for the needs of the molecular biology (e.g. EMBnet) user community. The software automatically copes with data in a variety of formats and even allows transparent retrieval of sequence data from the web. Also, as extensive libraries are provided with the package, it is a platform to allow other scientists to develop and release software in true open source spirit. EMBOSS also integrates a range of currently available packages and tools for sequence analysis into a seamless whole. EMBOSS breaks the historical trend towards commercial software packages.

Exonerate allows you to align sequences using a many alignment models, using either exhaustive dynamic programming, or a variety of heuristics. Much of the functionality of the Wise dynamic programming suite was reimplemented in C for better efficiency. Exonerate is an intrinsic component of the building of the Ensembl genome databases, providing similarity scores between RNA and DNA sequences and thus determining splice variants and coding sequences in general.

An In-silico PCR Experiment Simulation System (see the ipcress man page) is packaged with exonerate.

This package also comes with a selection of utilities for performing simple manipulations quickly on fasta files beyond 2Gb

Aplikacja fastDNAml wywodzi się z programu DNAML w wersji 3.3 Josepha Felsensteina (część jego pakietu PHYLIP). Użytkownicy powinni zapoznać się z dokumentacją DNAML przed użyciem tego programu.

Program próbuje rozwiązywać te same problemy co DNAML, ale robi to szybciej przy mniejszym obciążeniu pamięci, co umożliwia łatwe zarządzanie większymi drzewami i/lub ponownymi próbkami danych wejściowych. Znaczna część fastDNAml jest jedynie przekodowanym z języka Pascal do C programem DNAML 3.3 z pakietu PHYLIP (PHYLogeny Inference Package).

Należy pamiętać, że strona główna programu nie jest już dostępna, więc prawdopodobnie nie będzie on dalej aktualizowany.

Genetic linkage analysis is a statistical technique used to map genes and find the approximate location of disease genes. There was a standard software package for genetic linkage called LINKAGE. FASTLINK is a significantly modified and improved version of the main programs of LINKAGE that runs much faster sequentially, can run in parallel, allows the user to recover gracefully from a computer crash, and provides abundant new documentation. FASTLINK has been used in over 1000 published genetic linkage studies.

This package contains the following programs:

 ilink:    GEMINI optimization procedure to find a locally
           optimal value of the theta vector of recombination
           fractions
 linkmap:  calculates location scores of one locus against a
           fixed map of other loci
 lodscore: compares likelihoods at locally optimal theta
 mlink:    calculates lod scores and risk with two of more loci
 unknown:  identify possible genotypes for unknowns

FastQC aims to provide a simple way to do some quality control checks on raw sequence data coming from high throughput sequencing pipelines. It provides a modular set of analyses which you can use to give a quick impression of whether your data has any problems of which you should be aware before doing any further analysis.

The main functions of FastQC are

• Import of data from BAM, SAM or FastQ files (any variant)
• Providing a quick overview to tell you in which areas there may be problems
• Summary graphs and tables to quickly assess your data
• Export of results to an HTML based permanent report
• Offline operation to allow automated generation of reports without running the interactive application

FastTree infers approximately-maximum-likelihood phylogenetic trees from alignments of nucleotide or protein sequences. It handles alignments with up to a million of sequences in a reasonable amount of time and memory. For large alignments, FastTree is 100-1,000 times faster than PhyML 3.0 or RAxML 7.

FastTree is more accurate than PhyML 3 with default settings, and much more accurate than the distance-matrix methods that are traditionally used for large alignments. FastTree uses the Jukes-Cantor or generalized time-reversible (GTR) models of nucleotide evolution and the JTT (Jones-Taylor-Thornton 1992) model of amino acid evolution. To account for the varying rates of evolution across sites, FastTree uses a single rate for each site (the "CAT" approximation). To quickly estimate the reliability of each split in the tree, FastTree computes local support values with the Shimodaira-Hasegawa test (these are the same as PhyML 3's "SH-like local supports").

This package contains a single threaded version (fasttree) and a parallel version which uses OpenMP (fasttreMP).

Genome coverage, the number of sequencing reads mapped to a position in a genome, is an insightful indicator of irregularities within sequencing experiments. While the average genome coverage is frequently used within algorithms in computational genomics, the complete information available in coverage profiles (i.e. histograms over all coverages) is currently not exploited to its full extent. Thus, biases such as fragmented or erroneous reference genomes often remain unaccounted for. Making this information accessible can improve the quality of sequencing experiments and quantitative analyses.

fitGCP is a framework for fitting mixtures of probability distributions to genome coverage profiles. Besides commonly used distributions, fitGCP uses distributions tailored to account for common artifacts. The mixture models are iteratively fitted based on the Expectation-Maximization algorithm.

Flexbar preprocesses high-throughput sequencing data efficiently. It demultiplexes barcoded runs and removes adapter sequences. Moreover, trimming and filtering features are provided. Flexbar increases mapping rates and improves genome and transcriptome assemblies. It supports next-generation sequencing data in fasta/q and csfasta/q format from Illumina, Roche 454, and the SOLiD platform.

Parameter names changed in Flexbar. Please review scripts. The recent months, default settings were optimised, several bugs were fixed and various improvements were made, e.g. revamped command-line interface, new trimming modes as well as lower time and memory requirements.

FreeContact is a protein residue contact predictor optimized for speed. Its input is a multiple sequence alignment. FreeContact can function as an accelerated drop-in for the published contact predictors EVfold-mfDCA of DS. Marks (2011) and PSICOV of D. Jones (2011).

FreeContact is accelerated by a combination of vector instructions, multiple threads, and faster implementation of key parts. Depending on the alignment, 8-fold or higher speedups are possible.

A sufficiently large alignment is required for meaningful results. As a minimum, an alignment with an effective (after-weighting) sequence count bigger than the length of the query sequence should be used. Alignments with tens of thousands of (effective) sequences are considered good input.

jackhmmer(1) from the hmmer package, or hhblits(1) from hhsuite can be used to generate the alignments, for example.

This package contains the command line tool freecontact(1).

One goal of sequencing based metagenomic analysis is the quantitative taxonomic assessment of microbial community compositions. However, the majority of approaches either quantify at low resolution (e.g. at phylum level) or have severe problems discerning highly similar species. Yet, accurate quantification on species level is desirable in applications such as metagenomic diagnostics or community comparison. GASiC is a method to correct read alignment results for the ambiguities imposed by similarities of genomes. It has superior performance over existing methods.

GenomeTools zawiera zbiór przydatnych narzędzi do analizy i prezentacji sekwencji biologicznych połączonych w jeden plik binarny.

Zestaw narzędzi obejmuje pliki binarne do obsługi sekwencji i adnotacji, kompresji sekwencji, generowania struktury indeksów i dostępu do nich, wizualizacji adnotacji i wielu innych.

A program to visualize the alignment of two genomic sequences together with their annotations. From GFF-format input files it produces PostScript figures for that alignment. The following menu lists many features of gff2aplot:

• Comprehensive alignment plots for any GFF-feature. Attributes are defined separately so you can modify only whatsoever attributes for a given file or share same customization across different data-sets.
• All parameters are set by default within the program, but it can be also fully configured via gff2ps-like flexible customization files. Program can handle several of such files, summarizing all the settings before producing the corresponding figure. Moreover, all customization parameters can be set via command-line switches, which allows users to play with those parameters before adding any to a customization file.
• Source order is taken from input files, if you swap file order you can visualize alignment and its annotation with the new input arrangement.
• All alignment scores can be visualized in a PiP box below gff2aplot area, using grey-color scale, user-defined color scale or score-dependent gradients.
• Scalable fonts, which can also be chosen among the basic PostScript default fonts. Feature and group labels can be rotated to improve readability in both annotation axes.
• The program is still defined as a Unix filter so it can handle data from files, redirections and pipes, writing output to standard-output and warnings to standard error.
• gff2aplot is able to manage many physical page formats (from A0 to A10, and more -see available page sizes in its manual-), including user-defined ones. This allows, for instance, the generation of poster size genomic maps, or the use of a continuous-paper supporting plotting device, either in portrait or landscape.
• You can draw different alignments on same alignment plot and distinguish them by using different colors for each.
• Shape dictionary has been expanded, so that further feature shapes are now available (see manual).
• Annotation projections through alignment plots (so called ribbons) emulate transparencies via complementary color fill patterns. This feature allows one to show color pseudo-blending when horizontal and vertical ribbons overlap.

gff2ps to program skryptowy opracowany w celu konwersji rekordów w formacie gff na wysokiej jakości jednowymiarowe wykresy w języku PostScript. Takie wykresy mogą być przydatne do porównywania struktur genomowych i wizualizacji danych wyjściowych z programów do adnotacji genomu. Można go używać w bardzo prosty sposób, ponieważ zakłada, że plik GFF zawiera wystarczającą ilość informacji o formatowaniu, ale pozwala także za pomocą szeregu opcji oraz pliku konfiguracyjnego na duży stopień dostosowania.

GIIRA is a gene prediction method that identifies potential coding regions exclusively based on the mapping of reads from an RNA-Seq experiment. It was foremost designed for prokaryotic gene prediction and is able to resolve genes within the expressed region of an operon. However, it is also applicable to eukaryotes and predicts exon intron structures as well as alternative isoforms.

GLAM2 is a software package for finding motifs in sequences, typically amino-acid or nucleotide sequences. A motif is a re-occurring sequence pattern: typical examples are the TATA box and the CAAX prenylation motif. The main innovation of GLAM2 is that it allows insertions and deletions in motifs.

This package includes programs for discovering motifs shared by a set of sequences and finding matches to these motifs in a sequence database, as well as utilities for converting glam2 motifs to standard alignment formats, masking glam2 motifs out of sequences so that weaker motifs can be found, and removing highly similar members of a set of sequences.

The package includes these programs:

 glam2:       discovering motifs shared by a set of sequences;
 glam2scan:   finding matches, in a sequence database, to a motif discovered
              by glam2;
 glam2format: converting glam2 motifs to  standard alignment formats;
 glam2mask:   masking glam2 motifs out of sequences, so that weaker motifs
              can be found;
 glam2-purge: removing highly similar members of a set of sequences.

In this binary package, the fast Fourier algorithm (FFT) was enabled for the glam2 program.

Pakiet ten zawiera programy GMAP i GSNAP oraz narzędzia do zarządzania bazami danych genomów w formacie GMAP/GSNAP. GMAP (Genomic Mapping and Alignment Program) to narzędzie służące do dopasowywania sekwencji EST, mRNA i cDNA. GSNAP (Genomic Short-read Nucleotide Alignment Program) to narzędzie do dopasowywania odczytów transkryptomu z pojedynczym i sparowanym końcem. Obydwa narzędzia mogą korzystać z bazy danych:

• znanych miejsc splotów i zidentyfikować nowe tego typu miejsca.
• znanych polimorfizmów pojedynczych nukleotydów (SNP). GSNAP może wyrównać DNA poddanemu działaniu wodorosiarczynu.

Grinder is a versatile program to create random shotgun and amplicon sequence libraries based on DNA, RNA or proteic reference sequences provided in a FASTA file.

Grinder can produce genomic, metagenomic, transcriptomic, metatranscriptomic, proteomic, metaproteomic shotgun and amplicon datasets from current sequencing technologies such as Sanger, 454, Illumina. These simulated datasets can be used to test the accuracy of bioinformatic tools under specific hypothesis, e.g. with or without sequencing errors, or with low or high community diversity. Grinder may also be used to help decide between alternative sequencing methods for a sequence-based project, e.g. should the library be paired-end or not, how many reads should be sequenced.

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.

It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non- biological systems, e.g. polymers.

This package contains variants both for execution on a single machine, and using the MPI interface across multiple machines.

HH-suite is an open-source software package for sensitive protein sequence searching based on the pairwise alignment of hidden Markov models (HMMs).

This package contains HHsearch and HHblits among other programs and utilities.

HHsearch takes as input a multiple sequence alignment (MSA) or profile HMM and searches a database of HMMs (e.g. PDB, Pfam, or InterPro) for homologous proteins. HHsearch is often used for protein structure prediction to detect homologous templates and to build highly accurate query-template pairwise alignments for homology modeling.

HHblits can build high-quality MSAs starting from single sequences or from MSAs. It transforms these into a query HMM and, using an iterative search strategy, adds significantly similar sequences from the previous search to the updated query HMM for the next search iteration. Compared to PSI-BLAST, HHblits is faster, up to twice as sensitive and produces more accurate alignments.

HISAT2 is a fast and sensitive alignment program for mapping next-generation sequencing reads (both DNA and RNA) to a population of human genomes (as well as against a single reference genome). Based on an extension of BWT for graphs a graph FM index (GFM) was designed and implementd. In addition to using one global GFM index that represents a population of human genomes, HISAT2 uses a large set of small GFM indexes that collectively cover the whole genome (each index representing a genomic region of 56 Kbp, with 55,000 indexes needed to cover the human population). These small indexes (called local indexes), combined with several alignment strategies, enable rapid and accurate alignment of sequencing reads. This new indexing scheme is called a Hierarchical Graph FM index (HGFM).

HMMER is an implementation of profile hidden Markov model methods for sensitive searches of biological sequence databases using multiple sequence alignments as queries.

Given a multiple sequence alignment as input, HMMER builds a statistical model called a "hidden Markov model" which can then be used as a query into a sequence database to find (and/or align) additional homologues of the sequence family.