0.2.1

Update to version 0.2.1 with the distWATbridge measurement fixed.

0.2.0bis

Re-release of version 0.2.0 for DOI creation with Zenodo

0.2.0

Added a function for measuring the angle between two planes defined by three atoms each one.

0.1.2

• Added an option for not including backbone in selections

Update of version 0.1.1

Fixed an error when selecting residue numbers by inputing a list of integers.

0.1.0

Added the RMSD measurement to md_analyser/measurements

0.0.2

Added options for distance measure in Measurements from md_analyser

v0.0.1

Fixed some errors on the frame_selector function from the frame_extractor submodule. It has been rebuilt so it does not get stuck when none (or very few) True statements in a certain bin.

v0.0.0

First version of RCBS.py. It includes only the md_analyser subpackage with the distance, angle, dihedral and contacts analysers, as well as the function for applying criteria to the results.

Examples (as Jupyter notebooks) of how to use the package can be found in RCBS.py-examples repo.

v0.0b0

First version of RCBS.py. It includes only the md_analyser subpackage with the distance, angle, dihedral and contacts analysers, as well as the function for applying criteria to the results.