pyemap

PyeMap: A python package for automatic identification of electron and hole transfer pathways in proteins.

Project description

PyeMap (pronounced Pie-Map) is a python package for automatic identification and visualization of electron and hole transfer pathways in proteins. PyeMap analysis happens in 3 steps. The first step is parsing a PDB or CIF file provided by the user or fetched from the RCSB database. The next step is constructing the graph theory model of the protein crystal structure. Finally, the shortest paths between a specified electron/hole source to the surface or to a specified electron/hole acceptor can be calculated.

All PyeMap wheels distributed on PyPI are 3-BSD licensed.

GitHub: https://github.com/gayverjr/pyemap

Documentation: https://pyemap.readthedocs.io/en/latest/

Project details

Release history Release notifications | RSS feed

2.0.2

Aug 11, 2022

2.0.1

Apr 2, 2022

2.0.0

Jan 31, 2022

1.0.4

Oct 5, 2021

1.0.3.3

Jul 30, 2021

1.0.3.2

Nov 25, 2020

1.0.3.1

Nov 13, 2020

1.0.3

Oct 12, 2020

1.0.2

Sep 30, 2020

1.0.1

Feb 6, 2020

This version

1.0.0

Oct 1, 2019

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

pyemap-1.0.0.tar.gz (701.3 kB view details)

Uploaded Oct 1, 2019 Source

Built Distribution

pyemap-1.0.0-py3-none-any.whl (761.4 kB view details)

Uploaded Oct 1, 2019 Python 3

File details

Details for the file pyemap-1.0.0.tar.gz.

File metadata

Download URL: pyemap-1.0.0.tar.gz
Upload date: Oct 1, 2019
Size: 701.3 kB
Tags: Source
Uploaded using Trusted Publishing? No
Uploaded via: twine/2.0.0 pkginfo/1.5.0.1 requests/2.22.0 setuptools/41.2.0 requests-toolbelt/0.9.1 tqdm/4.35.0 CPython/3.7.3

File hashes

Hashes for pyemap-1.0.0.tar.gz
Algorithm	Hash digest
SHA256	`6114283a8fc909e039919598babefbc0d034a1179de14850b773151c9e495c59`
MD5	`8a7244fcc93f381821d7588205db4449`
BLAKE2b-256	`59e621241e97127d4e78201ca64e5ddca9ea76d5ce009a05f416cfd1d5db36a1`

See more details on using hashes here.

File details

Details for the file pyemap-1.0.0-py3-none-any.whl.

File metadata

Download URL: pyemap-1.0.0-py3-none-any.whl
Upload date: Oct 1, 2019
Size: 761.4 kB
Tags: Python 3
Uploaded using Trusted Publishing? No
Uploaded via: twine/2.0.0 pkginfo/1.5.0.1 requests/2.22.0 setuptools/41.2.0 requests-toolbelt/0.9.1 tqdm/4.35.0 CPython/3.7.3

File hashes

Hashes for pyemap-1.0.0-py3-none-any.whl
Algorithm	Hash digest
SHA256	`f9164b5896091f8f27c9d5bf0d47b24b4c41544b9d4ec51f45f3226767beb95c`
MD5	`c5d51daab5646ba901fed0602a2f0e65`
BLAKE2b-256	`ef11a3451e271c5455470b3f8bb315e3bce92897e08c24df837ce6492d6d591d`