Skip to main content

Plugin to use ATSAS programs within the Scipion framework

Project description

This plugin provides a wrapper for ATSAS - a program suite for small-angle scattering data analysis from biological macromolecules.

PyPI release License Supported Python versions SonarCloud quality gate Downloads

Installation

You will need to use 3.0+ version of Scipion to be able to run these protocols. To install the plugin, you have two options:

  1. Stable version

scipion installp -p scipion-em-atsas
  1. Developer’s version

    • download repository

    git clone -b devel https://github.com/scipion-em/scipion-em-atsas.git
    • install

    scipion installp -p /path/to/scipion-em-atsas --devel

Important: ATSAS binaries is free for academic users, but you will have to register, download and install them yourself from https://www.embl-hamburg.de/biosaxs/download.html

Configuration variables

ATSAS_HOME: Installation path to ATSAS. Default is software/em/atsas-3.2.0

Supported versions

3.0.1, 3.2.0

Protocols

  • convert PDB to SAXS curve

References

  1. Manalastas-Cantos, K., Konarev, P.V., Hajizadeh, N.R., Kikhney, A.G., Petoukhov, M.V., Molodenskiy, D.S., Panjkovich, A., Mertens, H.D.T., Gruzinov, A., Borges, C., Jeffries, C.M., Svergun, D.I., Franke, D. (2021). ATSAS 3.0: expanded functionality and new tools for small-angle scattering data analysis J. Appl. Cryst. 54, 343-355

  2. Svergun, D., Barberato, C., and Koch, M. H. J. (1995). CRYSOL - a Program to Evaluate X-ray Solution Scattering of Biological Macromolecules from Atomic Coordinates. Journal of Applied Crystallography, 28(6): 768–773.

Project details


Download files

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

Source Distribution

scipion-em-atsas-3.1.tar.gz (26.1 kB view hashes)

Uploaded source

Built Distribution

scipion_em_atsas-3.1-py3-none-any.whl (26.6 kB view hashes)

Uploaded py3

Supported by

AWS AWS Cloud computing Datadog Datadog Monitoring Facebook / Instagram Facebook / Instagram PSF Sponsor Fastly Fastly CDN Google Google Object Storage and Download Analytics Huawei Huawei PSF Sponsor Microsoft Microsoft PSF Sponsor NVIDIA NVIDIA PSF Sponsor Pingdom Pingdom Monitoring Salesforce Salesforce PSF Sponsor Sentry Sentry Error logging StatusPage StatusPage Status page