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tzok committed Jun 5, 2019
2 parents 3d9f0c0 + 2bb55e4 commit f71f531
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11 changes: 10 additions & 1 deletion README.md
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Mean of Circular Quantities (MCQ) is a dissimilarity measure useful in comparison of 3D protein and/or RNA structures. It calculates an average difference between corresponding torsion angle values (rotations around bonds). More information can be found in:
> Zok, T., Popenda, M., & Szachniuk, M. (2014). MCQ4Structures to compute similarity of molecule structures. Central European Journal of Operations Research, 22(3), 457–473. https://doi.org/10.1007/s10100-013-0296-5
## Installation

```sh
git clone https://github.com/RNA-Puzzles/mcq-parent
cd mcq-parent
git submodule update --init
mvn install
```

## Contents

This project consists of a few subprojets:
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- Use `pl.poznan.put.clustering.hierarchical.Clusterer` to construct dendrograms from a distance matrix (with `COMPLETE`, `SINGLE` or `AVERAGE` linkage option)
- Use `pl.poznan.put.clustering.partitional.KMedoids` to perform partitional clustering based on distance matrix
- Use `pl.poznan.put.clustering.partitional.KScanner#parallelScan` to find optimum number of clusters with respect to silhouette score
- Use `pl.poznan.put.clustering.partitional.KScanner#parallelScan` to find optimum number of clusters with respect to silhouette score
2 changes: 1 addition & 1 deletion bio-commons
Submodule bio-commons updated 128 files
2 changes: 1 addition & 1 deletion mcq-clustering
17 changes: 7 additions & 10 deletions pom.xml
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<groupId>pl.poznan.put</groupId>
<artifactId>mcq-parent</artifactId>
<version>1.5.1</version>
<version>1.6</version>
<packaging>pom</packaging>

<modules>
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<properties>
<batik.version>1.10</batik.version>
<biojava.version>5.2.0</biojava.version>
<jackson.version>2.9.8</jackson.version>
<project.build.sourceEncoding>UTF-8</project.build.sourceEncoding>
<slf4j.version>1.7.25</slf4j.version>
</properties>
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<version>1.2.3</version>
</dependency>

<dependency>
<groupId>com.fasterxml.jackson.core</groupId>
<artifactId>jackson-databind</artifactId>
<version>${jackson.version}</version>
</dependency>

<dependency>
<groupId>commons-cli</groupId>
<artifactId>commons-cli</artifactId>
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<artifactId>log4j-slf4j-impl</artifactId>
<groupId>org.apache.logging.log4j</groupId>
</exclusion>
<exclusion>
<artifactId>jackson-databind</artifactId>
<groupId>com.fasterxml.jackson.core</groupId>
</exclusion>
</exclusions>
</dependency>

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<dependency>
<groupId>pl.poznan.put</groupId>
<artifactId>BioCommons</artifactId>
<version>2.2.1</version>
<version>2.3.2</version>
</dependency>

<dependency>
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<dependency>
<groupId>pl.poznan.put</groupId>
<artifactId>TzokCommons</artifactId>
<version>1.5.1</version>
<version>1.6</version>
</dependency>

<dependency>
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