Showing 6 open source projects for "pubchem"

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  • 1
    Jmol

    Jmol

    An interactive viewer for three-dimensional chemical structures.

    ... quantum chemistry programs. Files can be transferred directly from several databases, including RCSB, EDS, NCI, PubChem, and MaterialsProject. Multiple files can be loaded and compared. A rich scripting language and a well-developed web API allow easy customization of the user interface. Features include interactive animation and linear morphing. Jmol interfaces well with JSpecView for spectroscopy, JSME for 2D->3D conversion, POV-Ray for images, and CAD programs for 3D printing (VRML export).
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    Downloads: 1,326 This Week
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  • 2
    PubChemSR is an MS-Windows-based data search and retrieval tool for the NCBI's public chemical database PubChem. PubChemSR makes it especially straightforward for researchers to utilize the chemical, biological and screening data available in PubChem. The latest version is v3.6.5 (released on 11/07/2020), which is fully compatible with the current PubChem web interface.
    Downloads: 0 This Week
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  • 3
    LMAPper - The SPM and Mol Viewer

    LMAPper - The SPM and Mol Viewer

    Where SPM images and molecular models meet

    This application lets STM or AFM images AND molecular models to be overlaid. It is useful to understand how your molecules fit to what you observed and can help interpret your data. What makes this application more useful than paint programs (powerpoint or inkscape) is the fact that the size of the images and of the molecule is fixed, so that you know that you are working in real space. Check https://sourceforge.net/p/spm-and-mol-viewer/wiki/Home/ for updates.
    Downloads: 0 This Week
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  • 4

    Pugsly PubChem Client

    Command-line, PubChem PUG client, written in Python

    Client to the PubChem Tool (PCT), The Power User Gateway (PUG). Written in Python and developed for use with Linux.
    Downloads: 0 This Week
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  • 5

    Pugsly

    Command-line, PubChem PUG client, written in Python

    Command-line, PubChem PUG client, written in Python; developed for Linux
    Downloads: 0 This Week
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  • 6
    Metmask has moved to github http://github.com/hredestig/metmask Metmask is a tool written in python for managing chemical identifiers for metabolomics experiments. It can incorporate identifiers from local textfiles, several online databases, query PubChem and record all found associations in a local sqlite database.
    Downloads: 0 This Week
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