Showing 9 open source projects for "g-cvsnt"

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  • 1
    luscus

    luscus

    molecular editor and viewer

    ... interface for MOLCAS program package, however it's adaptive nature makes possible using luscus with other computational program packages and chemical formats. If you use this program, please cite: G. Kovačević, V. Veryazov, J. Cheminformatics, 7 (2015) 1-10; DOI: 10.1186/s13321-015-0060-z
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    Downloads: 15 This Week
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  • 2

    AstroBioTools

    Adaptive analysis of amino acid alphabets

    A new, fast implementation of algorithms used for the adaptive analysis of amino acid alphabets as described in Philip, G. K., & Freeland, S. J. (2011). Did evolution select a nonrandom “alphabet” of amino acids? Astrobiology, 11(3), 235-240. Ilardo, M., Meringer, M., Freeland, S., Rasulev, B., & Cleaves II, H. J. (2015). Extraordinarily adaptive properties of the genetically encoded amino acids. Scientific reports, 5, 9414. Ilardo, M., Bose, R., Meringer, M., Rasulev, B...
    Downloads: 0 This Week
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  • 3
    qmol

    qmol

    A simple molecular weight calculator

    qmol is a simple molecular weight calculator, available for Linux and Windows, derived from Tomislav Gountchev's KMol. You can enter a formula, (e.g. CH3(CH2)2OH) and get its molecular weight (60.0959 g/mol) and its elemental composition (C3H8O: C 59.96; H 13.42; O 26.62 %). See the features list below for more details or consult the wiki page: https://sourceforge.net/p/qmol/wiki/Home/. For Windows binary and source code see the files section: https://sourceforge.net/projects/qmol/files...
    Downloads: 0 This Week
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  • 4
    MolDynSim

    MolDynSim

    TrajLab subproject: Molecular dynamics simulations in MATLAB

    This is a subproject of TrajLab which is probably the first attempt for a general purpose molecular simulation package in MATLAB. While the authors are aware that many other highly specialized and highly optimized program packages for the same purpose exist (e. g. AMBER, GROMACS, NAMD, etc.), the MATLAB environment offers easy access to manipulating the codes, testing novel algorithms, non-standard force fields and performing all kinds of numerical experiments. To be used mainly in research...
    Downloads: 0 This Week
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  • 5
    MetaStable

    MetaStable

    TrajLab subproject: Metastability analysis of molecular conformations

    This is a subproject of TrajLab which is probably the first attempt for a general purpose molecular simulation package in MATLAB. While the authors are aware that many other highly specialized and highly optimized program packages for the same purpose exist (e. g. AMBER, GROMACS, NAMD, etc.), the MATLAB environment offers easy access to manipulating the codes, testing novel algorithms, non-standard force fields and performing all kinds of numerical experiments. To be used mainly in research...
    Downloads: 0 This Week
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  • 6

    fast_count_multi

    Extremely fast NGS read counter

    ... gtf_file bam_file(s) > output Requires bamtools API library at run time, and c++0x for compile. git clone https://github.com/pezmaster31/bamtools cd bamtools mkdir build cd build cmake .. make export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:path to/lib g++ -I bamtools/include/ -L bamtools/lib/ -o fast_count_multi fast_count_multi.cpp -lz -lbamtools -fpermissive -pthread -std=c++0x
    Downloads: 0 This Week
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  • 7
    Starch CLD fit

    Starch CLD fit

    Least-squares fit of amylopectin chain-length distribution

    This FORTRAN program package finds the parameters involved in amylopectin chain-length distribution (CLD) biosynthesis by fitting experimental CLD data to a model which incorporates the underlying starch biosynthesis. The amylopectin CLD biosynthesis model used by this program is explained in the article “A Parameterized Model of Amylopectin Synthesis provides key insights into the Synthesis of Granular Starch”, by Alex Chi Wu, Matthew K. Morell and Robert G. Gilbert. The downloadable...
    Downloads: 0 This Week
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  • 8
    TrajLab

    TrajLab

    MATLAB based programs for trajectory simulations of molecules

    ... for a general purpose molecular simulation package in MATLAB. While the authors are aware that many other highly specialized and highly optimized program packages for the same purpose exist (e. g. AMBER, GROMACS, NAMD, etc.), the MATLAB environment offers easy access to manipulating the codes, testing novel algorithms, non-standard force fields and performing all kinds of numerical experiments. To be used mainly in teaching!
    Downloads: 0 This Week
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  • 9
    FGH is program that solves vibrational Schroedinger equation using the Fourier grid hamiltonian method. The program requires potential energy surface and G-matrix defined at the uniform grid of points.
    Downloads: 0 This Week
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