Hetero: a program to simulate the evolution of DNA on a four-taxon tree

We present a computer program to simulate the evolution of a nucleotide sequence on a phylogenetic tree with four tips. The program, Hetero, allows users to assign lineage-specific differences in the rate matrices used to describe the evolutionary process. It has a simple user interface and output, making it equally useful in the teaching and research of phylogenetics.     

ENVIRON: a software package to compare protein three-dimensional structures with homologous sequences using local structural motifs

This work presents a method to compare local clusters of interactingresidues as observed in a known three-dimensional protein structurewith corresponding clusters inferred from homologous proteinsequences, assuming conserved protein folding. For this purposethe local environment of a selected residue in a known proteinstructure is defined as the ensemble of amino acids in contactwith it in the folded state. Using a multiple sequence alignmentto identify corresponding residues in homologous proteins, adetailed comparison can be performed between the local environmentof a selected amino acid in the template protein structure andthe expected local environments at the sets of equivalent residues,derived from the aligned protein sequences. The comparison makesit possible to detect conserved local features such as hydrogenbonding or complementarity in residue substitution. A globalmeasure of environmental similarity is also defined, to searchfor conserved amino acid clusters subject to functional or structural constraints. The proposed approach is useful for investigatingprotein function as well as for site-directed mutagenesis experiments,where appropriate amino acid substitutions can be suggestedby observing naturally occurring protein variants.     

obitools: a unix‐inspired software package for DNA metabarcoding

DNA metabarcoding offers new perspectives in biodiversity research. This recently developed approach to ecosystem study relies heavily on the use of next‐generation sequencing (NGS) and thus calls upon the ability to deal with huge sequence data sets. The obitools package satisfies this requirement thanks to a set of programs specifically designed for analysing NGS data in a DNA metabarcoding context. Their capacity to filter and edit sequences while taking into account taxonomic annotation helps to set up tailor‐made analysis pipelines for a broad range of DNA metabarcoding applications, including biodiversity surveys or diet analyses. The obitools package is distributed as an open source software available on the following website: http://metabarcoding.org/obitools . A Galaxy wrapper is available on the GenOuest core facility toolshed: http://toolshed.genouest.org .     

DAMBE: software package for data analysis in molecular biology and evolution

DAMBE (data analysis in molecular biology and evolution) is an integrated software package for converting, manipulating, statistically and graphically describing, and analyzing molecular sequence data with a user-friendly Windows 95/98/2000/NT interface. DAMBE is free and can be downloaded from http://web.hku.hk/~xxia/software/software.htm. The current version is 4.0.36.     

ZFIQ: a software package for zebrafish biology

Rapid development, transparency and small size are the outstanding features of zebrafish that make it as an increasingly important vertebrate system for developmental biology, functional genomics, disease modeling and drug discovery. Zebrafish has been regarded as ideal animal specie for studying the relationship between genotype and phenotype, for pathway analysis and systems biology. However, the tremendous amount of data generated from large numbers of embryos has led to the bottleneck of data analysis and modeling. The zebrafish image quantitator (ZFIQ) software provides streamlined data processing and analysis capability for developmental biology and disease modeling using zebrafish model. AVAILABILITY: ZFIQ is available for download at http://www.cbi-platform.net.     

DNAFSMiner: a web-based software toolbox to recognize two types of functional sites in DNA sequences

SUMMARY: DNAFSMiner (DNA Functional Sites Miner) is a web-based software toolbox to recognize functional sites in nucleic acid sequences. Currently in this toolbox, we provide two software: TIS Miner and Poly(A) Signal Miner. The TIS Miner can be used to predict translation initiation sites in vertebrate DNA/mRNA/cDNA sequences, and the Poly(A) Signal Miner can be used to predict polyadenylation [poly(A)] signals in human DNA sequences. The prediction results are better than those by literature methods on two benchmark applications. This good performance is mainly attributable to our unique learning method. DNAFSMiner is available free of charge for academic and non-profit organizations. AVAILABILITY: http://research.i2r.a-star.edu.sg/DNAFSMiner/ CONTACT: huiqing@i2r.a-star.edu.sg.     

MEGA: a biologist-centric software for evolutionary analysis of DNA and protein sequences

The Molecular Evolutionary Genetics Analysis (MEGA) software is a desktop application designed for comparative analysis of homologous gene sequences either from multigene families or from different species with a special emphasis on inferring evolutionary relationships and patterns of DNA and protein evolution. In addition to the tools for statistical analysis of data, MEGA provides many convenient facilities for the assembly of sequence data sets from files or web-based repositories, and it includes tools for visual presentation of the results obtained in the form of interactive phylogenetic trees and evolutionary distance matrices. Here we discuss the motivation, design principles and priorities that have shaped the development of MEGA. We also discuss how MEGA might evolve in the future to assist researchers in their growing need to analyze large data set using new computational methods.     

Molecular evolution of chloroplast DNA sequences

Comparative data on the evolution of chloroplast genes are reviewed. The chloroplast genome has maintained a similar structural organization over most plant taxa so far examined. Comparisons of nucleotide sequence divergence among chloroplast genes reveals marked similarity across the plant kingdom and beyond to the cyanobacteria (blue-green algae). Estimates of rates of nucleotide substitution indicate a synonymous rate of 1.1 x 10(-9) substitutions per site per year. Noncoding regions also appear to be constrained in their evolution, although addition/deletion events are common. There have also been evolutionary changes in the distribution of introns in chloroplast encoded genes. Relative to mammalian mitochondrial DNA, the chloroplast genome evolves at a conservative rate.      

MetaPopGen: an r package to simulate population genetics in large size metapopulations

Population genetics simulation models are useful tools to study the effects of demography and environmental factors on genetic variation and genetic differentiation. They allow for studying species and populations with complex life histories, spatial distribution and many other complicating factors that make analytical treatment impracticable. Most simulation models are individual‐based: this poses a limitation to simulation of very large populations because of the limits in computer memory and long computation times. To overcome these limitations, we propose an intermediate approach that allows modelling of very complex demographic scenarios, which would be intractable with analytical models, and removes the limitations imposed by large population size, which affect individual‐based simulation models. We implement this approach in a software package for the r environment, MetaPopGen. The innovative concept of this approach with respect to the other population genetic simulators is that it focuses on genotype numbers rather than on individuals. Genotype numbers are iterated through time by using random number generators for appropriate probabilistic distributions to reproduce the stochasticity inherent to Mendelian segregation, survival, dispersal and reproduction. Features included in the model are age structure, monoecious and dioecious (or separate sexes) life cycles, mutation, dispersal and selection. The model simulates only one locus at a time. All demographic parameters can be genotype‐, sex‐, age‐, deme‐ and time‐dependent. MetaPopGen is therefore indicated to study large populations and very complex demographic scenarios. We illustrate the capabilities of MetaPopGen by applying it to the case of a marine fish metapopulation in the Mediterranean Sea.     

SPAms: A user-friendly software to simulate population genetics data under complex demographic models

Patterns of genetic diversity can be used to reconstruct populations demographic history. Thus, it is crucial to understand the statistical properties of data sets generated under different scenarios. SPAms is a graphical application that allows the simulation of data under a set of demographic models of increasing complexity: (i) population size change (ii) admixture and (iii) population structure (n-island or stepping stone model). SPAms generates data under the infinite site and the stepwise mutation models and computes a set of commonly used statistics. It should thus be a useful tool for both research and teaching purposes.     

To pair or not to pair: chromosome pairing and evolution

Chromosome pairing in wild-type wheat closely resembles the process in both yeast and Drosophila. The recent characterisation of a mutant Ph1 wheat and the observation that chromosome pairing in the absence of Ph1 more closely resembles that of mammals and maize has shed light on the evolution of chromosome pairing in the cereals.     

CGHAnalyzer: a stand-alone software package for cancer genome analysis using array-based DNA copy number data

SUMMARY: This synopsis provides an overview of array-based comparative genomic hybridization data display, abstraction and analysis using CGHAnalyzer, a software suite, designed specifically for this purpose. CGHAnalyzer can be used to simultaneously load copy number data from multiple platforms, query and describe large, heterogeneous datasets and export results. Additionally, CGHAnalyzer employs a host of algorithms for microarray analysis that include hierarchical clustering and class differentiation. AVAILABILITY: CGHAnalyzer, the accompanying manual, documentation and sample data are available for download at http://acgh.afcri.upenn.edu. This is a Java-based application built in the framework of the TIGR MeV that can run on Microsoft Windows, Macintosh OSX and a variety of Unix-based platforms. It requires the installation of the free Java Runtime Environment 1.4.1 (or more recent) (http://www.java.sun.com).     

SubpathwayMiner: a software package for flexible identification of pathways

With the development of high-throughput experimental techniques such as microarray, mass spectrometry and large-scale mutagenesis, there is an increasing need to automatically annotate gene sets and identify the involved pathways. Although many pathway analysis tools are developed, new tools are still needed to meet the requirements for flexible or advanced analysis purpose. Here, we developed an R-based software package (SubpathwayMiner) for flexible pathway identification. SubpathwayMiner facilitates sub-pathway identification of metabolic pathways by using pathway structure information. Additionally, SubpathwayMiner also provides more flexibility in annotating gene sets and identifying the involved pathways (entire pathways and sub-pathways): (i) SubpathwayMiner is able to provide the most up-to-date pathway analysis results for users; (ii) SubpathwayMiner supports multiple species (∼100 eukaryotes, 714 bacteria and 52 Archaea) and different gene identifiers (Entrez Gene IDs, NCBI-gi IDs, UniProt IDs, PDB IDs, etc.) in the KEGG GENE database; (iii) the system is quite efficient in cooperating with other R-based tools in biology. SubpathwayMiner is freely available at http://cran.r-project.org/web/packages/SubpathwayMiner/.     

CRANN: detecting adaptive evolution in protein-coding DNA sequences

A software program CRANN has been developed in order to detect adaptive evolution in protein-coding DNA sequences.     

cgDNA: a software package for the prediction of sequence-dependent coarse-grain free energies of B-form DNA

cgDNA is a package for the prediction of sequence-dependent configuration-space free energies for B-form DNA at the coarse-grain level of rigid bases. For a fragment of any given length and sequence, cgDNA calculates the configuration of the associated free energy minimizer, i.e. the relative positions and orientations of each base, along with a stiffness matrix, which together govern differences in free energies. The model predicts non-local (i.e. beyond base-pair step) sequence dependence of the free energy minimizer. Configurations can be input or output in either the Curves+ definition of the usual helical DNA structural variables, or as a PDB file of coordinates of base atoms. We illustrate the cgDNA package by comparing predictions of free energy minimizers from (a) the cgDNA model, (b) time-averaged atomistic molecular dynamics (or MD) simulations, and (c) NMR or X-ray experimental observation, for (i) the Dickerson–Drew dodecamer and (ii) three oligomers containing A-tracts. The cgDNA predictions are rather close to those of the MD simulations, but many orders of magnitude faster to compute. Both the cgDNA and MD predictions are in reasonable agreement with the available experimental data. Our conclusion is that cgDNA can serve as a highly efficient tool for studying structural variations in B-form DNA over a wide range of sequences.     

mbs: modifying Hudson's ms software to generate samples of DNA sequences with a biallelic site under selection

Background  

The pattern of single nucleotide polymorphisms, or SNPs, contains a tremendous amount of information with respect to the mechanisms of the micro-evolutionary process of a species. The inference of the roles of these mechanisms, including natural selection, relies heavily on computer simulations. A coalescent simulation is extremely powerful in generating a large number of samples of DNA sequences from a population (species) when all mutations are neutral, and Hudson's ms software is frequently used for this purpose.     

SNPbox: a modular software package for large-scale primer design

SUMMARY: We developed a modular software package SNPbox that automates and standardizes the generation of PCR primers and is used in the strategy for constructing single nucleotide polymorphisms (SNPs) maps. In this strategy, the focus of primer design can be either on the validation of annotated public SNPs or on the SNP discovery in exon regions or extended genomic regions, both by resequencing. SNPbox relies on Primer3 for the primer design and combines this program with other publicly available software tools such as BLAST, Spidey and RepeatMasker, and newly developed algorithms. Primer conditions were chosen such that PCR amplifications are uniform for each PCR amplicon facilitating the use of high-throughput genetic platforms. SNPbox can also be used for the design of primer sets for mutation analysis, STR marker genotyping and microarray oligo design. Of the 2500 primer sets designed by SNPbox, 95% successfully amplified genomic DNA under uniform PCR conditions. AVAILABILITY: The software is available from the authors upon request. SUPPLEMENTARY INFORMATION: SNPbox_supplement.     

Taxonome: a software package for linking biological species data

Online databases of biological information offer tremendous potential for evolutionary and ecological discoveries, especially if data are combined in novel ways. However, the different names and varied spellings used for many species present major barriers to linking data. Taxonome is a software tool designed to solve this problem by quickly and reproducibly matching biological names to a given reference set. It is available both as a graphical user interface (GUI) for simple interactive use, and as a library for more advanced functionality with programs written in Python. Taxonome also includes functions to standardize distribution information to a well‐defined set of regions, such as the TDWG World Geographical Scheme for Recording Plant Distributions. In combination, these tools will help biologists to rapidly synthesize disparate datasets, and to investigate large‐scale patterns in species traits.