rcbs.py - 0.2.1

Update to version 0.2.1 with the distWATbridge measurement fixed.

- Python
Published by mikicanyelles over 2 years ago

rcbs.py - 0.2.0bis

Re-release of version 0.2.0 for DOI creation with Zenodo

- Python
Published by mikicanyelles about 3 years ago

rcbs.py - 0.2.0

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

- Python
Published by mikicanyelles about 3 years ago

rcbs.py - 0.1.2

• Added an option for not including backbone in selections

- Python
Published by mikicanyelles about 3 years ago

rcbs.py - Update of version 0.1.1

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

- Python
Published by mikicanyelles over 3 years ago

rcbs.py - 0.1.0

Added the RMSD measurement to md_analyser/measurements

- Python
Published by mikicanyelles over 3 years ago

rcbs.py - 0.0.2

Added options for distance measure in Measurements from md_analyser

- Python
Published by mikicanyelles over 3 years ago

rcbs.py - v0.0.1

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

- Python
Published by mikicanyelles almost 4 years ago

rcbs.py - 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.

- Python
Published by mikicanyelles about 4 years ago

rcbs.py - 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.

- Python
Published by mikicanyelles about 4 years ago