Metadata-Version: 2.1
Name: icn3dpy
Version: 3.2.0
Summary: An IPython interface for embedding iCn3D viewer
Home-page: https://github.com/ncbi/icn3d
Author: Jiyao Wang
Author-email: wangjiy@ncbi.lm.nih.gov
License: MIT License
Description: icn3dpy
        =======
        
        icn3dpy is a simple [IPython/Jupyter](http://jupyter.org/) widget to
        embed an interactive [iCn3D](https://github.com/ncbi/icn3d) viewer in a notebook. Its source code is at [PyPI](https://pypi.org/project/icn3dpy/), and is also included at [iCn3D GitHub](https://github.com/ncbi/icn3d).
        
        The 3D view of icn3dpy in Jupyter Notebook is interactive, just like in any browser. The popup windows will appear under the 3D view. If you have a predefined cutom view, you can use the predefined commands in icn3dpy as shown below.
        
        If you experience problems, please file an [issue](https://github.com/ncbi/icn3d/issues).
        
        
        Installation
        ------------
        
        Install icn3dpy:
        
            pip install icn3dpy
        
        Install the extension:
        
            jupyter labextension install jupyterlab_3dmol
        
        
        
        Usage
        -----
        
        Open a notebook:
        
            jupyter notebook
        
        and issue Python script as follows:
        
            import icn3dpy
        
        "mmdbid" as input:
        
            view = icn3dpy.view(q='mmdbid=6hjr')
        
            view
        
        You can also try other input besides "mmdbid".
        "pdbid" as input:
        
            view = icn3dpy.view(q='pdbid=2bbv')
        
            view
        
        
        "mmtfid" as input:
        
            view = icn3dpy.view(q='mmtfid=6vxx')
        
            view
        
        
        "cid" as input:
        
            view = icn3dpy.view(q='cid=2244')
        
            view
        
        
        Use predefined commands (see commands in [iCn3D Gallery](https://www.ncbi.nlm.nih.gov/Structure/icn3d/icn3d.html#gallery) for reference):
        
            view = icn3dpy.view(q='mmdbid=6m0j',command='scatterplot interaction pairs | !A !E | hbonds,salt bridge,interactions,halogen,pi-cation,pi-stacking | false | threshold 3.8 6 4 3.8 6 6; show selection; add residue number labels')
        
            view
        
        
        Command
        -------
        
        You can use iCn3D interactive interface to generate a custom view, then click "File > Share Link" to get the commands in the "Original URL". All iCn3D commands are listed [here](https://www.ncbi.nlm.nih.gov/Structure/icn3d/icn3d.html#commands).
        
        
        License
        -------
        
        United States Government Work
        
        
        
Keywords: WebGL-based protein structure viewer
Platform: UNKNOWN
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Visualization
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 3
Description-Content-Type: text/markdown
