new release

docs/notebooks/constraint_docking.ipynb

@@ -8,7 +8,7 @@
     "\n",
     "This feature is available since version 2.0.0\n",
     "\n",
-    "**NOTE**: Since version 2.1.3 it is not needed to specify `protected_ids` to avoid failures of **MolDrug**. However, on this tutorial we will let the workaround for user with older versions."
+    "**NOTE**: Since version 2.1.7 it is not needed to specify `protected_ids` to avoid failures of **MolDrug**. However, on this tutorial we will let the workaround for user with older versions. May be that the specified CReM parameters completely remove any similarity between a solution and the reference structure for constraint docking; only in this specific scenarios you should protect some atoms in order to preserve some MCS."
    ]
   },
   {

docs/source/CHANGELOG.md

@@ -7,6 +7,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ## [unreleased]
 
+## [2.1.7]
+
 ### Fixed
 
 - Bug on `moldrug.fitness.vinadock` during searching of MCS between `Individual.mol` and `constraint_ref`. Before was needed to manually specified the atom ids of the `seed_mol` that match `constraint_ref`, now it is not needed any more.
@@ -163,7 +165,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - Minor code cleaning.
 - Better code covered during testing
 
-[unreleased]: https://github.com/ale94mleon/MolDrug/compare/2.1.0...HEAD
+[unreleased]: https://github.com/ale94mleon/MolDrug/compare/2.1.7...HEAD
+[2.1.7]: https://github.com/ale94mleon/MolDrug/compare/2.1.0...2.1.7
 [2.1.0]: https://github.com/ale94mleon/MolDrug/compare/2.0.0...2.1.0
 [2.0.0]: https://github.com/ale94mleon/MolDrug/compare/1.1.0...2.0.0
 [1.1.0]: https://github.com/ale94mleon/MolDrug/compare/1.0.2...1.1.0