Commit 6c8aca90 authored by Jacob Durrant's avatar Jacob Durrant

Updated version to 1.2.3.

parent 0c561e2a
Pipeline #313 canceled with stages
Changes
=======
WIP
---
1.2.3
-----
* Updated protonation of nitrogen, oxygen, and sulfur atoms to be compatible
with the latest version of RDKit, which broke backwards compatibility.
......
Dimorphite-DL 1.2.2
Dimorphite-DL 1.2.3
===================
What is it?
......@@ -34,7 +34,7 @@ usage: dimorphite_dl.py [-h] [--min_ph MIN] [--max_ph MAX]
[--smiles_file FILE] [--output_file FILE]
[--label_states] [--test]
Dimorphite 1.2.2: Creates models of appropriately protonated small moleucles.
Dimorphite 1.2.3: Creates models of appropriately protonated small moleucles.
Apache 2.0 License. Copyright 2018 Jacob D. Durrant.
optional arguments:
......
......@@ -137,7 +137,7 @@ class ArgParseFuncs:
:return: A parser object.
"""
parser = MyParser(description="Dimorphite 1.2.2: Creates models of " +
parser = MyParser(description="Dimorphite 1.2.3: Creates models of " +
"appropriately protonated small moleucles. " +
"Apache 2.0 License. Copyright 2018 Jacob D. " +
"Durrant.")
......
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