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GitLab
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<h3>
Andrius Merkys pushed to branch upstream
at <a href="https://salsa.debian.org/java-team/openchemlib">Debian Java Maintainers / openchemlib</a>
</h3>
<h4>
Commits:
</h4>
<ul>
<li>
<strong><a href="https://salsa.debian.org/java-team/openchemlib/-/commit/628bb7f24b6db88b58e8f47812421c742511ff9c">628bb7f2</a></strong>
<div>
<span>by Andrius Merkys</span>
<i>at 2020-11-18T09:13:53-05:00</i>
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<pre class="commit-message" style="white-space: pre-wrap; margin: 0;">New upstream version 2020.11.2+dfsg</pre>
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<h4>30 changed files:</h4>
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<li class="file-stats">
<a href="#9d57ee2a540f9ef762c5a4e36c7dd2a245c47776">
<span class="deleted-file">
−
examples/FractalDimension/PackageFractalDimension.zip
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<li class="file-stats">
<a href="#442292b8a7efeabbe4cc176709b833b1792140ec">
pom.xml
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<li class="file-stats">
<a href="#24b35affedf264aaec6df0bd309ea65d03428712">
src/main/java/com/actelion/research/calc/ArrayUtilsCalc.java
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<li class="file-stats">
<a href="#aaf6273a1516309c5315a5277d895707b1729fd9">
src/main/java/com/actelion/research/calc/VectorSimilarity.java
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<li class="file-stats">
<a href="#b6b48a52ea2f6eb3d133e15998d45c7ef4cae1ab">
src/main/java/com/actelion/research/calc/combinatorics/CombinationGenerator.java
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<li class="file-stats">
<a href="#3f5337087ac5d25a71e6430314d07204f2471c0d">
src/main/java/com/actelion/research/chem/AbstractDepictor.java
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<li class="file-stats">
<a href="#740d1b62554de0bb4911a3fc23e2387b26c0a2b4">
src/main/java/com/actelion/research/chem/AromaticityResolver.java
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<li class="file-stats">
<a href="#c489e2196c33bd6a942a5790f07fa93527645c98">
src/main/java/com/actelion/research/chem/AtomFunctionAnalyzer.java
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<li class="file-stats">
<a href="#67800693fa8bb7e226e47f0411ca790ea518c656">
src/main/java/com/actelion/research/chem/Canonizer.java
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<li class="file-stats">
<a href="#889e0b10c5c451f164db7441b398e6cb50f97b27">
src/main/java/com/actelion/research/chem/CanonizerUtil.java
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<li class="file-stats">
<a href="#db486e5e976fa06490b5686e17f244d22672680f">
src/main/java/com/actelion/research/chem/DrawingObjectFactory.java
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<li class="file-stats">
<a href="#a366ae93c6b2697647f789b85e058d12270016b2">
src/main/java/com/actelion/research/chem/ExtendedMolecule.java
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<li class="file-stats">
<a href="#a1ec33c7804dfaa6cf903376c9e2af00e9a9a224">
src/main/java/com/actelion/research/chem/IDCodeParserWithoutCoordinateInvention.java
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<li class="file-stats">
<a href="#3357d4852d9e2d697d79a0b5c96ed0a78ce44afb">
src/main/java/com/actelion/research/chem/IsomericSmilesCreator.java
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<li class="file-stats">
<a href="#7591869d39cf992c9eaa2bbe2598c5927a014b3b">
src/main/java/com/actelion/research/chem/Molecule.java
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<li class="file-stats">
<a href="#e4fb825c497a94b14d7757128b758fbc066ea0f9">
src/main/java/com/actelion/research/chem/MoleculeNeutralizer.java
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<li class="file-stats">
<a href="#7c84dfaa69c93d20f9e15822af12b7a45af30a0f">
src/main/java/com/actelion/research/chem/MoleculeStandardizer.java
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<li class="file-stats">
<a href="#c1af02d8c1a2ce77f8c1fb671601ae64d537a0bf">
src/main/java/com/actelion/research/chem/MolfileCreator.java
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<li class="file-stats">
<a href="#129931cc7763032c22d6b8488a89331130ebe2dd">
src/main/java/com/actelion/research/chem/MolfileParser.java
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<li class="file-stats">
<a href="#4730c40c35b4fbc4d77963c12d761ea3f5ce9c7d">
src/main/java/com/actelion/research/chem/PeriodicTable.java
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<li class="file-stats">
<a href="#a903c7d1b9ebc25320fbf101173801564b577e20">
src/main/java/com/actelion/research/chem/PropertyCalculator.java
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<li class="file-stats">
<a href="#c63e176da7c5c11f44a4e98c7fd4090e168b8470">
src/main/java/com/actelion/research/chem/SSSearcher.java
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<li class="file-stats">
<a href="#b7a09c1bad58a2b1f3ad512afb001e9c3f04b6ea">
src/main/java/com/actelion/research/chem/SSSearcherWithIndex.java
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<li class="file-stats">
<a href="#ba44c1f7e56c2598decf65ca012c856547ff2f0f">
src/main/java/com/actelion/research/chem/SmilesParser.java
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<li class="file-stats">
<a href="#7287934e8cb72d30c7f848b12e06ec4736231ea0">
src/main/java/com/actelion/research/chem/StereoMolecule.java
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<li class="file-stats">
<a href="#ea25398b9bbbcd35bc1f24595b7de65860219936">
src/main/java/com/actelion/research/chem/StructureSearch.java
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<li class="file-stats">
<a href="#297bbf96bfa984fd860791b0f081b476f79d916b">
src/main/java/com/actelion/research/chem/TautomerHelper.java
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<li class="file-stats">
<a href="#3c35249cb3564e8724370e8c6a85c4183fb991bd">
<span class="new-file">
+
src/main/java/com/actelion/research/chem/alignment3d/KabschAlignment.java
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<li class="file-stats">
<a href="#9f402fb8a8ea5e23e42a42f17e9c1a4b1c8f9ae3">
src/main/java/com/actelion/research/chem/phesa/PheSAAlignmentOptimizer.java
→
src/main/java/com/actelion/research/chem/alignment3d/PheSAAlignmentOptimizer.java
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<li class="file-stats">
<a href="#c8262f3c7551f0e67f586b47594e320bf4d32db9">
src/main/java/com/actelion/research/chem/conf/BondRotationHelper.java
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<h5>The diff was not included because it is too large.</h5>
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