20 projects for "structural engineering" with 2 filters applied:

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  • 1
    Updated 2022-06-11 added option to allow use of atoms other than C-alpha Updated 2021-11-29 to enable compilation on stricter compilers. Ab Initio protein structure prediction methods generate numerous structural candidates, which are referred to as decoys. Calibur is an efficient tool for finding the decoy with the most number of neighbors within a threshold distance. If you prefer to use GitHub, go to https://github.com/kalngyk/calibur
    Downloads: 0 This Week
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  • 2
    Toxtree: Toxic Hazard Estimation

    Toxtree: Toxic Hazard Estimation

    Toxicity prediction for chemical compounds

    A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation and Eye irritation prediction -Benigni / Bossa rulebase for mutagenicity and carcinogenicity prediction -START biodegradation and persistence prediction -Skin sensitisation reactivity domain -Kroes TTC Decision tree -SMARTCyp - Cytochrome P450-Mediated...
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    Downloads: 197 This Week
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  • 3
    Biskit is a python library for structural bioinformatics research. It simplifies the analysis of macromolecular structures, protein complexes, and molecular dynamics trajectories and offers a platform for the rapid integration of external programs. PLEASE NOTE: The Biskit source code as well as any later releases are now hosted on https://github.com/graik/biskit The sourceforge repo is only kept here for reference.
    Downloads: 0 This Week
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  • 4
    ESBTL (Easy Structural Biology Template Library) is a lightweight C++ library that allows the handling of PDB data and provides a data structure suitable for geometric analysis and advanced constructions.
    Downloads: 1 This Week
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  • 5
    MSL

    MSL

    http://dx.doi.org/10.1002/jcc.22968

    MSL is a C++ library that enables the computational study of macromolecules. The MSL library is not a program (although some applications are distributed) but a tool for scientist to code their own molecular modeling methods. Philosophy The main goal is to create a set of tools that enable the computational study of macromolecules with relative ease at all levels, from simple operations (for example, load a PDB and measure a distance or edit a dihedral) to complex applications...
    Downloads: 0 This Week
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  • 6
    Java class libraries for structural biology development: includes protein format conversion tool, printf-based text formatting, Pred2ary secondary structure prediction, neural net library, Hooke-Jeeves global optimizer, and misc. math & statistics.
    Downloads: 0 This Week
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  • 7

    xPyder PyMOL Plugin

    Analyze and visualize coupled residues and their networks in proteins

    xPyder is a PyMOL plugin to analyze and visualize on the 3D structure dynamical cross-correlation matrices (DCCM), linear mutual information (LMI), communication propensities (CP), intra- and inter-molecular interactions (e.g. PSN), and more, to produce highly customizable publication-quality images. xPyder identifies networks (using concepts from graph theory, such as hubs and shortest path searching), compares matrices and focuses the analysis on relevant information by filtering the data...
    Downloads: 0 This Week
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  • 8
    SPADE

    SPADE

    A toolkit for developing and deploying protein structure algorithms.

    The Structural Proteomics Application Development Environment is a Python tool kit for developing and deploying bioinformatics applications. Handles graphics, analysis, and modeling of protein sequence and structure. Source and Win installers available. SPADE source code can be cloned from http://www.github.com/deaconjs/SPADE.
    Downloads: 0 This Week
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  • 9

    AutoMap

    AutoMap is a tool for structural biology and drug design.

    AutoMap takes a series of poses obtained from molecular docking and applies the site, epitope and conformational mapping techniques to the poses to select likely ligand binding modes.
    Downloads: 0 This Week
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  • 10

    Seurat

    A sequence analysis tool for normal/tumor DNA and RNA data.

    THIS IS NO LONGER THE HOME FOR SEURAT. PLEASE GO TO https://sites.google.com/site/seuratsomatic/ --- Seurat is an sequence analysis program for somatic mutation and allelic imbalance discovery in paired tumor and normal genome and transcriptome data.
    Downloads: 0 This Week
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  • 11
    SOAPsv

    SOAPsv

    SOAPsv: is a program for detecting the structural variation

    This is an approach that complements previous methods for reliable homozygous structural variation identification. Our approach accurately determines genotype and breakpoints relative to a reference genome based on de novo assembly of Illumina Genome Analyzer sequencing data. In this method, we examined only homozygous structural variations because detecting heterozygous structural variations requires assembly of haplotype sequences, which is not yet possible using existing assemblers.
    Downloads: 0 This Week
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  • 12
    A tool for structural variation discovery on genomes using high throughput sequencing technologies.
    Downloads: 0 This Week
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  • 13
    Detection of structural variants and indels from Genome/Exome sequencing data
    Downloads: 0 This Week
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  • 14
    Wattos is a collection of mostly Java programs for Structural Biology and NMR Spectroscopy. It's programs analyze, annotate, parse, archive, and disseminate experimental NMR data deposited by authors world wide into the PDB and BMRB.
    Downloads: 0 This Week
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  • 15
    The Biomolecule Toolkit is a library for modeling biological macromolecules such as proteins, DNA and RNA. It provides a C++ interface for common tasks in structural biology to facilitate the development of molecular modeling, design and analysis tools.
    Downloads: 0 This Week
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  • 16
    PSIMAP is the Protein Structural Interactome MAP, a map of all the domain level protein-protein interactions in the Protein Data Bank (PDB). PSIsoft is an archive of the software used to generate and analyse PSIMAP.
    Downloads: 0 This Week
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  • 17
    SureFit generates 3D mesh surfaces (in VTK and Caret formats) from 3D structural MRI volumes (in formats such as Analyze, AFNI, raw).
    Downloads: 0 This Week
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  • 18
    HalX is a LIMS (Laboratory Information Management System). It is meant to be able to keep track of all the experimental details of any type of biochemical, molecular biology or structural biology experiment (but not all are available now...)
    Downloads: 0 This Week
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  • 19
    Biological research groups need to store and analyze large amounts of diverse data. LISA (LabInfoSystem:) stores this information in an easily accessible customizable web-based database. LISA requires PHP4 and MySQL. Keywords: Structural Biology, Genomics
    Downloads: 0 This Week
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  • 20
    A suite of tools for discovering and genotyping genome structural variation from sequencing data, including the Genome STRiP algorithm.
    Downloads: 0 This Week
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