An efficient small-angle Debye scattering calculator.
Verified details
These details have been verified by PyPIProject links
GitHub Statistics
Maintainers
Project description
Welcome to pyAUSAXS, the perhaps fastest Python tool for evaluating the scattering intensity of biological samples and crystals.
pyAUSAXS is a Python wrapper around AUSAXS, the high-performance C++ backend, offering easy
access to most of its features.
Who is this for?
pyAUSAXS offers highly efficient calculation of the expected scattering intensity of your structures. These calculations include
form factors, and hydration shell & excluded volume modeling. Calculations without these solvent effects are also possible, if only
the pure Debye calculation is of interest. For a full overview of how it works, see the AUSAXS article:
10.1107/S160057672500562X.
Installation
To install, simply run:
pip install pyausaxs
and you are good to go!
Usage
Proper documentation is currently being written. For now, please refer to the runnable examples here.
Contributing
Are you encountering problems, have feedback or suggestions, or are you considering contributing to the project? Please check out the contributor guidelines.
Citation
If you use pyAUSAXS in published work, please cite the following paper:
Small-angle X-ray scattering profile calculation for high-resolution models of biomacromolecules
(doi: 10.1107/S160057672500562X)
This project is licenced under the GNU Lesser General Public Licence v3.0.
Project details
Verified details
These details have been verified by PyPIProject links
GitHub Statistics
Maintainers
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distributions
Built Distributions
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file pyausaxs-1.0.10-py3-none-win_amd64.whl.
File metadata
- Download URL: pyausaxs-1.0.10-py3-none-win_amd64.whl
- Upload date:
- Size: 2.7 MB
- Tags: Python 3, Windows x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.13.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
fa4457ccb678097a0401805834321466007de2acec30e04f489460389da785e6
|
|
| MD5 |
99ced94823abcc02fe692e908a61abfc
|
|
| BLAKE2b-256 |
43b8b8e2642d088a1ccd02bc0c2543f0294ea84c3ebbb5190f6151ddd097963b
|
Provenance
The following attestation bundles were made for pyausaxs-1.0.10-py3-none-win_amd64.whl:
Publisher:
build-release.yml on AUSAXS/pyAUSAXS
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
pyausaxs-1.0.10-py3-none-win_amd64.whl -
Subject digest:
fa4457ccb678097a0401805834321466007de2acec30e04f489460389da785e6 - Sigstore transparency entry: 798048813
- Sigstore integration time:
-
Permalink:
AUSAXS/pyAUSAXS@decda7037b57f6d96ce0cb27858aef94968cbaed -
Branch / Tag:
refs/heads/master - Owner: https://github.com/AUSAXS
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
build-release.yml@decda7037b57f6d96ce0cb27858aef94968cbaed -
Trigger Event:
workflow_dispatch
-
Statement type:
File details
Details for the file pyausaxs-1.0.10-py3-none-manylinux2014_x86_64.whl.
File metadata
- Download URL: pyausaxs-1.0.10-py3-none-manylinux2014_x86_64.whl
- Upload date:
- Size: 2.2 MB
- Tags: Python 3
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.13.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
8fb07d818421cbca16d2b77159a410581a7033db0541e72732e25421ab1a85af
|
|
| MD5 |
1363f2a52edb55bfad8c2dc2bb9292ad
|
|
| BLAKE2b-256 |
a4e8b581a980c2342dcd5b040da78079c0f49e4f62ad1a5403c0a8820e5ef6cc
|
Provenance
The following attestation bundles were made for pyausaxs-1.0.10-py3-none-manylinux2014_x86_64.whl:
Publisher:
build-release.yml on AUSAXS/pyAUSAXS
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
pyausaxs-1.0.10-py3-none-manylinux2014_x86_64.whl -
Subject digest:
8fb07d818421cbca16d2b77159a410581a7033db0541e72732e25421ab1a85af - Sigstore transparency entry: 798048815
- Sigstore integration time:
-
Permalink:
AUSAXS/pyAUSAXS@decda7037b57f6d96ce0cb27858aef94968cbaed -
Branch / Tag:
refs/heads/master - Owner: https://github.com/AUSAXS
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
build-release.yml@decda7037b57f6d96ce0cb27858aef94968cbaed -
Trigger Event:
workflow_dispatch
-
Statement type:
File details
Details for the file pyausaxs-1.0.10-py3-none-macosx_11_0_universal2.whl.
File metadata
- Download URL: pyausaxs-1.0.10-py3-none-macosx_11_0_universal2.whl
- Upload date:
- Size: 2.9 MB
- Tags: Python 3, macOS 11.0+ universal2 (ARM64, x86-64)
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.13.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
3e68ca9f19bc8a09a5faf5ab71eaec7fba4b38a4be57fda92c9877ea2c597dd4
|
|
| MD5 |
01f531f6be19d3fb3d195b7157f44194
|
|
| BLAKE2b-256 |
fff7cf29a42685c37140e17c581e9818bd039d92e5fff53af5e767aae18815ac
|
Provenance
The following attestation bundles were made for pyausaxs-1.0.10-py3-none-macosx_11_0_universal2.whl:
Publisher:
build-release.yml on AUSAXS/pyAUSAXS
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
pyausaxs-1.0.10-py3-none-macosx_11_0_universal2.whl -
Subject digest:
3e68ca9f19bc8a09a5faf5ab71eaec7fba4b38a4be57fda92c9877ea2c597dd4 - Sigstore transparency entry: 798048818
- Sigstore integration time:
-
Permalink:
AUSAXS/pyAUSAXS@decda7037b57f6d96ce0cb27858aef94968cbaed -
Branch / Tag:
refs/heads/master - Owner: https://github.com/AUSAXS
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
build-release.yml@decda7037b57f6d96ce0cb27858aef94968cbaed -
Trigger Event:
workflow_dispatch
-
Statement type:
