Showing 13 open source projects for "fitting"

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  • 1
    relax

    relax

    Molecular dynamics by NMR data analysis

    The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using...
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    Downloads: 9 This Week
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  • 2

    SpectralWorks

    View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra

    Program for viewing, editing, manipulating, and analyzing absorbance spectra. Simple arithnetic includes making linear combinatins of up to 10 spectra. Advanced functions include fitting spectra as LC of standard basis spectra, singular value decomposition, Fourier transform, differentiation, integration, global fitting of 3D titration and kinetic data. Graphics features allow composing Figures and export to postscript files which can be converted to pdf, imported into photoshop...
    Downloads: 5 This Week
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  • 3
    We provided a normal method to fit 2/3D open or closed curves. With fitting results, we can make morphometric analyses of some samples. If you have any questions, please contact Shengmin Zhou(email: 2495077522@qq.com or 220180304@seu.edu.cn). If you want to download this project and use it, please cite the paper: Zhou, S., Li, B. & Nie, H. Parametric fitting and morphometric analysis of 3D open curves based on discrete cosine transform. Zoomorphology (2021). https://doi.org/10.1007/s00435...
    Downloads: 0 This Week
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  • 4

    YFitter

    Fitting Y chromosome haplogroups by maximum likelihood

    Yfitter is a program for assigning Y chromosome haplogroups to individuals sequenced at low coverage. It is designed to be used in a samtools/bcftools pipeline. Yfitter also supports haplogrouping using chip genotype data.
    Downloads: 0 This Week
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  • 5

    irayMol

    Molecular visualization

    Analyses and Interactive visualizations of the structures, functions and actions of biomolecules including molecular surface computation, and protein-ligand interface and protein-ligand docking where the ligand could a small compound, a nucleic acid, membrane and other proteins, written in C++/Qt/openGL/GLSL with more than 125,000 lines of codes. In addition to Qt, the only external library needed is GSL everything else is coded from the scratch.
    Downloads: 0 This Week
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  • 6
    pteros
    !!! PTEROS DEVELOPMENT MOVED TO GITHUB !!! New project page: https://github.com/yesint/pteros New documentation page: https://yesint.github.io/pteros/ Pteros is the C++ library for custom molecular modeling and simulations codes designed for researchers, not for C++ gurus. Provides facilities for PDB, XTC and TRR files IO, powerful selections, geometry transformations, RMSD fitting and alignment, etc.
    Downloads: 0 This Week
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  • 7

    MDA

    Molecular Dynamics Analyzer (MDA)

    ... by the astigmatism. It does not require additional experimental effort for the user and imaging can directly be started once interesting regions in the sample have been identified. MDA is written in MATLAB and comes with a graphical user interface. The particle fitting routine is provided by an external library written in C. The results can be exported into the Matlab Workspace or the trackID, frameID and xyz coordinates are saved into files.
    Downloads: 1 This Week
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  • 8

    fitGCP

    Fitting genome coverage distributions with mixture models

    ... 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. Please find the accompanying paper here: http://dx.doi.org/10.1093/bioinformatics/btt147
    Downloads: 1 This Week
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  • 9

    QUDeX-MS

    Hydrogen/deuterium exchange estimation for isotopic fine structure MS

    ... of deuterium incorporation from a spectrum with isotopic fine structure resolved. Given a peptide sequence or elemental formula, the distribution of deuterium-associated mass-to-charge ratios is calculated based on a particular charge state corresponding to the molecular species resolved in an input mass spectrum. Peaks in the input mass spectrum fitting within bins corresponding to these values are used to determine the distribution of deuterium incorporated.
    Downloads: 0 This Week
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  • 10
    TrichEratops

    TrichEratops

    TrichEratops is a software to study trichome patterning

    TrichEratops applies focus stacking on a series of light microscopic pictures. The 3D surface from the stack is reconstructed using Elastic Map fitting. Trichomes can be marked on the Leaf surface and patterning statistics can be calculated from them.
    Downloads: 0 This Week
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  • 11

    simbTUM

    Simulation of stochastic processes and ODE models in biology.

    SIMulation of Biological systems (developed at the TU Munich) This program allows to define ODE-models or stochastic compartemental models of biological processes, to simulate, to fit data and to do some statistics (fitting and statistics for deterministic models only).
    Downloads: 0 This Week
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  • 12
    Software for parsimony-based tree fitting, which can be used for analysis of problems in historical biogeography, coevolution, and in species tree - gene tree fitting.
    Downloads: 0 This Week
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  • 13
    The Synaptic Simulator is a program which simulates models of single neuronal synapses and compartments, complex constructs of such models. Furthermore the program is able to regain parameters by fitting simulated results with experimental data.
    Downloads: 0 This Week
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