Metadata-Version: 2.1
Name: x3dase
Version: 1.1.1
Summary: Drawing and rendering atoms and molecules objects using X3DOM. X3dase can be used as a viewer for the molecule structure in the Jupyter notebook.
Home-page: https://github.com/superstar54/x3dase
Author: Xing Wang
Author-email: xingwang1991@gmail.com
License: GPL
Description: # x3dase
        
        Python module for drawing and rendering atoms and molecules objects using X3DOM. X3dase can be used as a viewer for the molecule structure in the Jupyter notebook.
        
        Functions:
        * Support all file-formats using by ASE, including cif, xyz, cube, pdb, json, VASP-out and so on.
        * Ball & stick
        * Space filling
        * Polyhedral
        * Isosurface
        * Show element and index
        * Measure distance and angle
        * Animation
        
        For the introduction of ASE , please visit https://wiki.fysik.dtu.dk/ase/index.html
        
        
        ## Author
        * Xing Wang  <xingwang1991@gmail.com>
        
        ## Dependencies
        
        * Python
        * ASE
        * Skimage
        ## Installation using pip
        ```sh
        pip install --upgrade --user x3dase
        ```
        ## Installation from source
        You can get the source using git:
        ``` sh
        git clone https://github.com/superstar54/x3dase.git
        ```
        Then add it to your PYTHONPATH and PATH. On windows, you can edit the system environment variables.
        
        ``` sh
        export PYTHONPATH=/path-to-x3dase:$PYTHONPATH
        ```
        
        ## Examples
        
        ### Draw molecule in Jupyter notebooks
        
        <img src="examples/images/jupyter.png" width="600"/>
        
        ### Shortcut
        |key | function|
        |-|-|
        |b| ball-and-stick model|
        |s| spacefilling model|
        |p| polyhedra model|
        |1| view top|
        |2| view front|
        |3| view right|
        |4| view element|
        |5| view index|
        
        ### Show different models
        <img src="examples/images/models.png" width="500"/>
        
        ### Measure distance and angle between atoms
        Using Ctrl + click to select atoms.
        |Selection | measurement |
        |-|-|
        | single atom | xyz position and atomic symbol |
        | two atoms | interatomic distance |
        | three atoms | three internal angles |
        
        
        ### Polyhedra for crystal
        <img src="examples/images/polyhedra.png" width="300"/>
        
        
        ### Isosurface for electron density
        <img src="examples/images/isosurface.png" width="300"/>
        
        ### Animation
        ``` python
        images = [atoms1, atoms2, atoms3]
        X3D(images)
        ```
        
Platform: UNKNOWN
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Requires-Python: >=3
Description-Content-Type: text/markdown
