Cyclone: java-based querying and computing with Pathway/Genome databases

Cyclone aims at facilitating the use of BioCyc, a collection of Pathway/Genome Databases (PGDBs). Cyclone provides a fully extensible Java Object API to analyze and visualize these data. Cyclone can read and write PGDBs, and can write its own data in the CycloneML format. This format is automatically generated from the BioCyc ontology by Cyclone itself, ensuring continued compatibility. Cyclone objects can also be stored in a relational database CycloneDB. Queries can be written in SQL, and in an intuitive and concise object-oriented query language, Hibernate Query Language (HQL). In addition, Cyclone interfaces easily with Java software including the Eclipse IDE for HQL edition, the Jung API for graph algorithms or Cytoscape for graph visualization. AVAILABILITY: Cyclone is freely available under an open source license at: http://sourceforge.net/projects/nemo-cyclone. SUPPLEMENTARY INFORMATION: For download and installation instructions, tutorials, use cases and examples, see http://nemo-cyclone.sourceforge.net.     

NRSub: a non-redundant data base for the Bacillus subtilis genome.

We have organized the DNA sequences of Bacillus subtillis from the EMBL collection to build the NRSub data base. This data base is free from duplications and all detected overlapping sequences are merged into contigs. Data on gene mapping and codon usage are also included. NRSub is publically available through anonymous FTP in flat file format or structured on the form of an ACNUC data base. Under this format, it is possible to use NRSub with the retrieval program Query--win. This program integrates a graphical interface and may be installed on any kind of UNX computer under X Window and on which the Vibrant and Motif libraries are available.     

OntoVisT: A general purpose Ontological Visualization Tool

Ontologies have emerged as a fast growing research topic in the area of semantic web during last decade. Currently there are 204 ontologies that are available through OBO Foundry and BioPortal. Several excellent tools for navigating the ontological structure are available, however most of them are dedicated to a specific annotation data or integrated with specific analysis applications, and do not offer flexibility in terms of general-purpose usage for ontology exploration. We developed OntoVisT, a web based ontological visualization tool. This application is designed for interactive visualization of any ontological hierarchy for a specific node of interest, up to the chosen level of children and/or ancestor. It takes any ontology file in OBO format as input and generates output as DAG hierarchical graph for the chosen query. To enhance the navigation capabilities of complex networks, we have embedded several features such as search criteria, zoom in/out, center focus, nearest neighbor highlights and mouse hover events. The application has been tested on all 72 data sets available in OBO format through OBO foundry. The results for few of them can be accessed through OntoVisT-Gallery. AVAILABILITY: The database is available for free at http://ccbb.jnu.ac.in/OntoVisT.html.     

A microcomputer program for hydropathic analysis of proteins with I/O through word processing and graphics software

A BASIC program has been devised for the hydropathic analysisof protein sequences according to the method of Kyte and Doolittle(1982). The program uses sequence data from input files thatare created with a word processor and produces two types ofoutput file: one contains a bar graph of the hydropathic profilein a format that can be easily edited; the other is a tabulationof hydropathic indices along a protein's sequence that can beused as input by the program for the production of a bar graphor as input into other graphics and analysis software. An MS-DOSmicrocomputer, operating under IBM BASICA or GWBASIC and a dotmatrix printer with block graphics capabilities are the onlyhardware requirements for graphic display of hydropathy profiles.The program is capable of unattended analysis from a list ofup to 15 input files. ; accepted on March 10, 1986     

VitaPad: visualization tools for the analysis of pathway data

MOTIVATION: Packages that support the creation of pathway diagrams are limited by their inability to be readily extended to new classes of pathway-related data. RESULTS: VitaPad is a cross-platform application that enables users to create and modify biological pathway diagrams and incorporate microarray data with them. It improves on existing software in the following areas: (i) It can create diagrams dynamically through graph layout algorithms. (ii) It is open-source and uses an open XML format to store data, allowing for easy extension or integration with other tools. (iii) It features a cutting-edge user interface with intuitive controls, high-resolution graphics and fully customizable appearance. AVAILABILITY: http://bioinformatics.med.yale.edu CONTACTS: matthew.holford@yale.edu; hongyu.zhao@yale.edu.     

Trace2PS and FSA2PS: two software toolkits for converting trace and fsa files to PostScript format

Background  

Due to the advanced techniques in sequencing and fragment analysis, DNA sequencers and analyzers produce vast amounts of data within short time. To administrate the large data volume conveniently, efficient data management systems are used in order to process and to store sequencers' or analyzers' data outcome. The inclusion of graphical reports in such systems is necessary to achieve a comprehensive view of the integrated data. However, the resulting data of sequencing and fragment analysis runs are stored in a proprietary format, the so-called trace or fsa format, which is only readable by programs provided by the instrument's vendor operating on the machine itself or by commercial tools designed for editing the respective data. To allow for a quick conversion of the proprietary data format into a commonly used one, toolkits are required that reach this aim and can be easily integrated into workflow systems.     

Observations on graphing paleozoological data: Suggestions for better graphs

Paleozoologists have long used graphs of diverse styles to describe, analyze, and summarize their data. Some of these graphs provide excellent visual representations of complex data and are readily deciphered. Other graph styles require close study to be interpreted. Ease of visual decoding of information contained in a graph – graph perception – varies from graph style to graph style. Historical instances of graphing paleozoological data indicate some difficult to decipher graph styles have been used for at least a century. Graphs with three-dimensions, moiré effects, superimposed lines, or segmented bars, or which demand simultaneous decipherment of position and magnitude, are ill-advised. Temporal trends in data are best graphed following the principle of superposition such that data from old material is graphed at the bottom and data from younger material is graphed at the top of the diagram.     

土壤动物知识图谱构建理论、方法与技术——以浙江天目山土壤螨类为例

土壤动物学面临以全新知识体系为科学研究框架的变革时期,其核心内容是以数据驱动为主要特征的人工智能技术方法。目前广泛应用的基于数据库的数据处理分析方法,面临着数据多源异构、快速增长和处理能力不足之间的矛盾。基于快速发展的大数据科学和人工智能技术的数据挖掘方法在解决前述矛盾中有突出优势,但需要依赖一个强大的领域知识库,然而土壤动物领域知识图谱的研究十分匮乏。土壤动物知识图谱是一个具有有向图结构的知识库,其中图的节点代表与土壤动物相关的实体或概念,图的边代表实体或概念之间的各种语义关系。提出了土壤动物知识图谱的定义、内涵、理论模型和构建方法,以浙江天目山土壤螨类多样性为例,分析了构建山地土壤动物知识图谱的技术方法;以土壤动物多样性研究关注的物种分布、物种共存、环境条件对物种的影响作用为例,探讨了基于山地土壤动物知识图谱可以解决的相关科学问题。研究表明,土壤动物知识图谱在解决生物多样性重要科学问题方面具有独特的潜力和优势,有力推动了土壤动物学、信息科学和数据科学交叉的土壤动物信息学的发展。     

Inclusive sharing of mass spectrometry imaging data requires a converter for all

With continued efforts towards a single MSI data format, data conversion routines must be made universally available. The benefits of a common imaging format, imzML, are slowly becoming more widely appreciated but the format remains to be used by only a small proportion of imaging groups. Increased awareness amongst researchers and continued support from major MS vendors in providing tools for converting proprietary formats into imzML are likely to result in a rapidly increasing uptake of the format. It is important that this does not lead to the exclusion of researchers using older or unsupported instruments. We describe an open source converter, imzMLConverter, to ensure against this. We propose that proprietary formats should first be converted to mzML using one of the widely available converters, such as msconvert and then use imzMLConverter to convert mzML to imzML. This will allow a wider audience to benefit from the imzML format immediately.     

Graph-based deconvolution analysis of multiplex sandwich microarray immunoassays: applications for environmental monitoring

The sandwich microarray immunoassay (SMI) is a powerful technique for the analysis and characterization of environmental samples, from the identification of microorganisms to specific bioanalytes. As the number of antibodies increases, however, unspecific binding and cross-reactivity can become a problem. To cope with such difficulties, we present here the concept of antibody graph associated to a sandwich antibody microarray. Antibody graphs give valuable information about the antibody cross-reactivity network and all the players involved in the sandwich format: capturing and tracer antibodies, the antigenic sample and the degree of cross-reactivity between antibodies. Making use of the information contained in the antibody graph, we have developed a deconvolution method that disentangles the antibody cross-reactivity events and gives qualitative information about the composition of the experimental sample under study. We have validated the method by using a 66 antibody-containing microarray to describe known antigenic mixtures as well as natural environmental samples characterized by 16S-RNA gene phylogenetic analysis. The application of our antibody graph and deconvolution method allowed us to discriminate between true specific antigen-antibody reactions and spurious signals on a microarray designed for environmental monitoring.     

The Gel Electrophoresis Markup Language (GelML) from the Proteomics Standards Initiative

The Human Proteome Organisation's Proteomics Standards Initiative has developed the GelML (gel electrophoresis markup language) data exchange format for representing gel electrophoresis experiments performed in proteomics investigations. The format closely follows the reporting guidelines for gel electrophoresis, which are part of the Minimum Information About a Proteomics Experiment (MIAPE) set of modules. GelML supports the capture of metadata (such as experimental protocols) and data (such as gel images) resulting from gel electrophoresis so that laboratories can be compliant with the MIAPE Gel Electrophoresis guidelines, while allowing such data sets to be exchanged or downloaded from public repositories. The format is sufficiently flexible to capture data from a broad range of experimental processes, and complements other PSI formats for MS data and the results of protein and peptide identifications to capture entire gel‐based proteome workflows. GelML has resulted from the open standardisation process of PSI consisting of both public consultation and anonymous review of the specifications.     

A standardized format for handling data on plasmids,viruses and transposons: The PVT database format

The PVT format described here has been designed to store and retrieve genetic data on plasmids, viruses or transposons with special focus on their applications. Both naturally-occurring and engineered elements can be included in it. A variety of data can be accommodated in fields that are grouped in blocks: name and type of element, database administration, element administration, history, propagation, selection and host, biological properties, cloned insert and applications. The number of fields, now 157, can be expanded as required. Most properties can be described in simple logical fields. The format is organized to permit rapid searches and to facilitate communication between database and user; connection with culture and/or DNA collections is also envisaged and adequate fields for these tasks have been provided. The format allows cross-reference with that originated by the Microbial Information Network Europe (MINE) for computer storage and handling of bacterial or fungal strain data.     

A graph layout algorithm for drawing metabolic pathways

MOTIVATION: A large amount of data on metabolic pathways is available in databases. The ability to visualise the complex data dynamically would be useful for building more powerful research tools to access the databases. Metabolic pathways are typically modelled as graphs in which nodes represent chemical compounds, and edges represent chemical reactions between compounds. Thus, the problem of visualising pathways can be formulated as a graph layout problem. Currently available visual interfaces to biochemical databases either use static images or cannot cope well with more complex, non-standard pathways. RESULTS: This paper presents a new algorithm for drawing pathways which uses a combination of circular, hierarchic and force-directed graph layout algorithms to compute positions of the graph elements representing main compounds and reactions. The algorithm is particularly designed for cyclic or partially cyclic pathways or for combinations of complex pathways. It has been tested on five sample pathways with promising results.     

A graph-theoretic approach to the partition of individuals into full-sib families

We present an algorithm to partition a single generation of individuals into full-sib families using single-locus co-dominant marker data. Pairwise likelihood ratios are used to create a graph that represents the full-sib relationships within the data set. Connected-component and minimum-cut algorithms from the graph theory are then employed to find the full-sib families within the graph. The results of a large-scale simulation study show that the algorithm is able to produce accurate partitions when applied to data sets with eight or more loci. Although the algorithm performs best when the distribution of allele frequencies and family sizes in a data set is uniform, the inclusion of more loci or alleles per locus allows accurate partitions to be created from data sets in which these distributions are highly skewed.     

FASTC: a file format for multi-character sequence data

Here, we define a sequence file format that allows for multi-character elements (FASTC). The format is derived from the FASTA format and the custom alphabet format of POY4/5. The format is more general than either of these formats and can represent a broad variety of sequence-type data. This format should be useful for analyses involving datasets encoded as linear streams such as gene synteny, comparative linguistics, temporal gene expression and development, complex animal behaviours, and general biological time-series data.     

ChromoWheel: a new spin on eukaryotic chromosome visualization

ChromoWheel is an Internet browser application for generating whole-genome illustrations. It can be used to depict chromosomes, genes and relations between chromosomal loci. The circular layout of chromosomes is advantageous for showing relationships between different chromosomes, as the connecting line never crosses over a chromosome. All graphical image components are in the vector-based format Scalable Vector Graphics, which are highly scaleable and admit user interaction. ChromoWheel can either be run with user-provided data in the generic SFS format, or as a browser front-end for precompiled genomic data.