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:
- 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
- calculate simple scattering profiles from MRC formatted electron density maps
- calculate simple electron density maps of arbitrary resolution from Protein Data Bank (PDB) files