Showing 3 open source projects for "dr."

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    atomes

    atomes

    Analysis, visualization, edition of 3D atomistic models

    ...atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: - Classical MD : DL-POLY and LAMMPS - ab-initio MD : CPMD and CP2K - QM-MM MD : CPMD and CP2K atomes is developed by Dr. Sébastien Le Roux, research engineer for the CNRS Dr. Sébastien Le Roux works at the Institut de Physique et Chimie des Matériaux de Strasbourg.
    Downloads: 39 This Week
    Last Update:
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  • 2
    MultiSpecEPR

    MultiSpecEPR

    MultiSpec EPR handles and present several spectra 1D and 2D

    ...Save txt tables of the peaks and integrals that can be transferred to Microsoft Excel and statistical programs. MultiSpec EPR was created as a simple routine in Turbo C 3.0 when Dr. Keramidas research group needed to convert the Bruker EPR spectra to txt automatically in order to be transferred in Excel. The program was rewritten in Visual C# with the graphical interface. Many features were added up to now and still is in development. Older version can be downloaded from https://sites.google.com/site/keramidasscientificsoftware/multispecepr
    Downloads: 20 This Week
    Last Update:
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  • 3

    HostDesigner

    General purpose de novo molecular design software

    ...Download includes User's Manual, HostDesigner 4.3 source code (in Fortran), data files, example input, HDViewer executables for MacOS, Linux, and Windows, and mengine source code (in C). HostDesigner was developed and posted by author Dr. Benjamin P Hay
    Downloads: 0 This Week
    Last Update:
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