Commit 43abcc86 authored by Jacob Durrant's avatar Jacob Durrant

Update version number to 1.2.

parent 44a8a100
Changes
=======
1.1.2
-----
1.2
---
* Corrected a bug that led Dimorphite-DL to sometimes produce output molecules
that are non-physical.
* Corrected a bug that gave incorrect protonation states for rare molecules
(aromatic rings with nitrogens that are protonated when electrically
neutral, e.g., pyridin-4(1H)-one).
1.1.1
-----
neutral, e.g. pyridin-4(1H)-one).
* `run_with_mol_list()` now preserves non-string properties.
* `run_with_mol_list()` throws a warning if it cannot process a molecule,
rather than terminating the program with an error.
......
Dimorphite-DL 1.1.2
===================
Dimorphite-DL 1.2
=================
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 1.1.2: Creates models of appropriately protonated small moleucles.
Dimorphite 1.2: 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 1.1.2: Creates models of " +
parser = MyParser(description="Dimorphite 1.2: Creates models of " +
"appropriately protonated small moleucles. " +
"Apache 2.0 License. Copyright 2018 Jacob D. " +
"Durrant.")
......
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