Skip to content

Commit

Permalink
Fix documentation link
Browse files Browse the repository at this point in the history
  • Loading branch information
hmcezar committed Sep 26, 2023
1 parent cfcf9c8 commit 052107b
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion README.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# ClustTraj - A Python package for clustering similar structures from molecular simulations

[![License: GPL v3](https://img.shields.io/badge/License-LGPLv3-blue.svg)](https://www.gnu.org/licenses/lgpl-3.0.html) ![build](https://github.com/hmcezar/clusttraj/actions/workflows/ci.yml/badge.svg) [![docs](https://github.com/hmcezar/clusttraj/actions/workflows/documentation.yml/badge.svg)](https://cascella-group-uio.github.io/HyMD/) [![codecov](https://codecov.io/gh/hmcezar/clusttraj/graph/badge.svg?token=DYOKR4JZEN)](https://codecov.io/gh/hmcezar/clusttraj) [![PyPI version](https://badge.fury.io/py/clusttraj.svg)](https://badge.fury.io/py/clusttraj)
[![License: GPL v3](https://img.shields.io/badge/License-LGPLv3-blue.svg)](https://www.gnu.org/licenses/lgpl-3.0.html) ![build](https://github.com/hmcezar/clusttraj/actions/workflows/ci.yml/badge.svg) [![docs](https://github.com/hmcezar/clusttraj/actions/workflows/documentation.yml/badge.svg)](https://hmcezar.github.io/clusttraj/) [![codecov](https://codecov.io/gh/hmcezar/clusttraj/graph/badge.svg?token=DYOKR4JZEN)](https://codecov.io/gh/hmcezar/clusttraj) [![PyPI version](https://badge.fury.io/py/clusttraj.svg)](https://badge.fury.io/py/clusttraj)

-----------
This Python package receives a molecular dynamics or Monte Carlo trajectory (in .pdb, .xyz or any format supported by OpenBabel), finds the minimum RMSD between the structures with the Kabsch algorithm and performs agglomerative clustering (a kind of unsupervised machine learning) to classify similar conformations.
Expand Down

0 comments on commit 052107b

Please sign in to comment.