diff --git a/README.md b/README.md index 96bc560a..3eeaf45b 100644 --- a/README.md +++ b/README.md @@ -1,7 +1,7 @@ # Meeko: preparation of small molecules for AutoDock [![API stability](https://img.shields.io/badge/stable%20API-no-orange)](https://shields.io/) -[![PyPI version fury.io](https://img.shields.io/badge/version-0.6.0--alpha.2-green.svg)](https://pypi.python.org/pypi/ansicolortags/) +[![PyPI version fury.io](https://img.shields.io/badge/version-0.6.0--alpha.3-green.svg)](https://pypi.python.org/pypi/ansicolortags/) Meeko reads an RDKit molecule object and writes a PDBQT string (or file) for [AutoDock-Vina](https://github.com/ccsb-scripps/AutoDock-Vina) @@ -35,7 +35,7 @@ For example, reading Mol2 files from ZINC [led to incorrect net charge of some molecules.](https://github.com/forlilab/Meeko/issues/63) -## v0.6.0-alpha.2 +## v0.6.0-alpha.3 This release aims to distribute an enhanced `mk_prepare_receptor.py`. Some features are still being developed, hence the `-alpha` suffix in the version. diff --git a/meeko/__init__.py b/meeko/__init__.py index 5178d1de..f2414d6d 100644 --- a/meeko/__init__.py +++ b/meeko/__init__.py @@ -4,7 +4,7 @@ # Meeko # -__version__ = "0.6.0-alpha.2" +__version__ = "0.6.0-alpha.3" try: import openbabel diff --git a/setup.py b/setup.py index 0e895ad1..da0388b6 100644 --- a/setup.py +++ b/setup.py @@ -21,7 +21,7 @@ def find_files(directory): setup( name="meeko", - version='0.6.0-alpha.2', + version='0.6.0-alpha.3', author="Forli Lab", author_email="forli@scripps.edu", url="https://github.com/ccsb-scripps/meeko",