diff --git a/README.md b/README.md index 81d7472..ab849c8 100644 --- a/README.md +++ b/README.md @@ -1,7 +1,7 @@ -# PROPKA 3.1 +# PROPKA 3.2 PROPKA predicts the pKa values of ionizable groups in proteins -(version 3.0) and protein-ligand complexes (version 3.1) +(version 3.0) and protein-ligand complexes (version 3.2 and later) based on the 3D structure. For proteins without ligands both version should produce the same result. @@ -25,7 +25,7 @@ you don't have setuptools installed you will need an internet connection so that the installation procedure can download the required files): - cd propka-3.1 + cd python setup.py install --user This will install the `propka31` script in your executable directory, @@ -59,7 +59,6 @@ Calculate using pdb file propka31 1hpx.pdb - ## Testing (for developers) Please see [`tests/README.md`](tests/README.md) for testing instructions.