Processing and analysis of Small Angle X-ray Scattering (SAXS) data.
...It also allows easy processing of inline SEC-SAXS data and data deconvolution using the evolving factor analysis (EFA) or the regularized alternating least squares (REGALS) methods.
Active source code is now maintained on github:
https://github.com/jbhopkins/bioxtasraw
To install:
Check the instructions available at: http://bioxtas-raw.readthedocs.io/en/latest/install.html and in the Files tab.
User guides:
RAW guides are available at: http://bioxtas-raw.readthedocs.io/ and in the Files tab.
To contact us, see:
https://bioxtas-raw.readthedocs.io/en/latest/help.html
Real Space Multigrid based electronic structure code.
News: active RMG development has moved to github https://github.com/RMGDFT
News: V4.1.0 released on 09/29/2020
News: V4.0.0 released on 09/01/2020 with major updates.
News: V3.0.0 released on 06/09/2018 with major updates.
News: V2.2.2 released on 10/14/2017 with minor bug fixes.
News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017.
[OBSOLETE, check Github repository: https://github.com/LBT-CNRS/MDDriver)
MDDriver is a library allowing a user to easily couple molecular visualisation tools with simulation code through a network. It allows to carry out interactive molecular dynamics, visualize simulation results and drive a simulation in interactive time.