DENSS has been updated to v1.7.3 with bug fixes and features, including improvements in speed and robustness. DENSS has also been updated to be compatible with and integrated into BioXTAS RAW.
Features and Bug fixes:
- Improved robustness of automatic Dmax selection in denss.fit_data.py.
- Improved speed and robustness of automatic alpha selection in denss.fit_data.py.
- Added calculation and printing of chi2 of I(q) fit to denss.fit_data.py.
- Added ability to select arbitrary ranges of points in denss.fit_data.py GUI.
- Added ability to accept only two columns, q and I, in input data for denss.fit_data.py (error bars set to 1 in this case)
- Moved logging in denss.pdb2mrc.py script to PDB2MRC() class.
- Added methods to PDB2MRC() class to improve compatibility and integration for third party software packages such as RAW.
- Fixed bugs in parsing PDB files.
