scikit-nano is a python toolkit for generating and analyzing nanostructure data.
scikit-nano can generate structure data (i.e., atomic coordinates) for the following classes of nanostructures:
Fullerenes
Graphene
N-layer graphene
Bilayer graphene with more fine control over relative layer orientation, including relative rotation and stacking arrangements.
Nanotubes
Single-walled nanotubes (SWNTs)
SWNT bundles
Multi-walled nanotubes (MWNTs)
MWNT bundles
The following structure data formats are supported:
xyz
LAMMPS data (limited support for full format spec.)
LAMMPS dump (limited support for full format spec.)
Extending input/output capabilities with more structure data formats such as pdb, json, zmatrix, etc. is queued for development
Secondary to its structure generating functions are its structure analysis tools including:
defect/vacancy structure analysis
nearest-neighbor analysis
POAV analysis
Important links
Documentation: http://scikit-nano.org/doc
Source code repo: https://github.com/androomerrill/scikit-nano
Download releases: https://github.com/androomerrill/scikit-nano/releases
Issue tracker: https://github.com/androomerrill/scikit-nano/issues
PyPI page: https://pypi.python.org/pypi/scikit-nano
Dependencies
Installation
You can install the latest stable release from the Python Package Index using pip:
> pip install scikit-nano
Alternatively you can download a source code tarball from http://pypi.python.org/pypi/scikit-nano or clone the source code from the github repo using git:
> git clone https://github.com/androomerrill/scikit-nano.git
cd into the source code directory and run:
> python setup.py install
These commands will probabily fail if you don’t have admin privileges. In that case, try installing to the user base directory. Using pip:
> pip install --user scikit-nano
Or from source:
> python setup.py install --user
1 maintainer
Release files for scikit-nano 0.3.21
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| scikit-nano-0.3.21.tar.gz | 26.8 MB | Details |
Release files / scikit-nano-0.3.21.tar.gz
| Download URL | scikit-nano-0.3.21.tar.gz |
|---|---|
| Size | 26.8 MB |
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