Three new scripts have been uploaded to the DENSS github repository. These scripts include: the ability to fit smooth functions to noisy experimental data (required for denss.py input), calculate scattering profiles from electron density maps, and calculate electron density maps from PDB files.

The new scripts include:

• denss.fit_data.py
  • fit a smooth curve to experimental data and calculate the corresponding P(r) (pair distribution function)
  • includes convenient interactive GUI with simple sliders for selecting Dmax and the alpha smoothing factor
• denss.rho2dat.py
  • calculate simple scattering profiles from MRC formatted electron density maps
• denss.pdb2mrc.py
  • calculate simple electron density maps of arbitrary resolution from Protein Data Bank (PDB) files

DENSS has now been directly implemented within the popular RAW software package for SAXS data reduction and analysis (RAW v1.4.0). RAW contains many useful features for analyzing solution scattering data, including creation of 1D scattering profiles from 2D detector images, standard data operations such as averaging and subtraction, analysis of radius of gyration (Rg) and molecular weight, and advanced analysis using GNOM and DAMMIF. It also allows easy processing of inline SEC-SAXS data and data deconvolution using the evolving factor analysis (EFA) method.

One of the main advantages to installing RAW for using DENSS, is that it DENSS is natively implemented in RAW, meaning you do not have to have a separate installation of DENSS to run it. RAW also provides a convenient graphical interface for running DENSS. For averaging, install EMAN2 and RAW will automatically find your EMAN2 installation and run the averaging procedure for you.

Many thanks to Jesse Hopkins and the RAW team for providing this for the community!

Click here to download RAW. 

Click here to see a tutorial for how to run DENSS in RAW.