Bacting
Bacting: a next generation, command line version of Bioclipse - Published in JOSS (2021)
Science Score: 98.0%
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✓CITATION.cff file
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✓codemeta.json file
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✓.zenodo.json file
Found .zenodo.json file -
✓DOI references
Found 7 DOI reference(s) in README and JOSS metadata -
✓Academic publication links
Links to: joss.theoj.org, zenodo.org -
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✓JOSS paper metadata
Published in Journal of Open Source Software
Keywords
Repository
Bacting is an open-source platform for chemo- and bioinformatics based on Bioclipse that defines a number of common domain objects and wraps common functionality, providing a toolkit independent, scriptable solution to handle data from the life sciences.
Basic Info
Statistics
- Stars: 17
- Watchers: 5
- Forks: 5
- Open Issues: 21
- Releases: 65
Topics
Metadata Files
README.md
Bacting
Bacting := acting as the Bioclipse TNG (The Next Generation)
Bacting is an open-source platform for chemo- and bioinformatics based on Bioclipse
that defines a number of common domain objects and wraps common functionality, providing a toolkit independent, scriptable solution to
handle data from the life sciences. Like Bioclipse, Bacting is written in the Java language, making use in Java-derived
languages like Groovy easy, but also accessible to Python. Deposition of the Bacting package on
Maven Central allows it
to be easily used in Groovy scripts with @Grab instructions.
How to cite
If you use this software, please cite the article in JOSS:
Install
For the below use cases, Bacting is actually installed on demand. In Groovy this is done with
@Grab and in Python with from pybacting import cdk (see pybacting)
or scyjava.config. This section explains how Bacting can be installed from
the source code.
From the source code
First, you need a working Maven installation and the code is tested with Java 11, 17, and 19, and can be installed with:
shell
mvn clean install -Dgpg.skip -Dmaven.javadoc.skip=true
Making releases
Before making a release, update the version number in this README.md and in CITATION.cff.
Releases are created by the release manager and requires permission to submit the release to Maven Central (using an approved Sonatype (oss.sonatype.org) account). If these requirements are fulfilled then the following commands to the job:
shell
export MAVEN_OPTS="--add-opens=java.base/java.util=ALL-UNNAMED --add-opens=java.base/java.lang.reflect=ALL-UNNAMED --add-opens=java.base/java.text=ALL-UNNAMED --add-opens=java.desktop/java.awt.font=ALL-UNNAMED"
mvn versions:set -DnewVersion=1.0.7
git commit -m "New release" -a
mvn deploy -P release
Making snapshots
shell
mvn versions:set -DnewVersion=1.0.8-SNAPSHOT
mvn deploy
Updating the JavaDoc
After the release is avaiable on Maven Central, the JavaDoc
needs to be updated. The JavaDoc is generated with the below command, and the results are stored
in the target/site/apidocs/ folder:
shell
mvn clean javadoc:javadoc javadoc:aggregate
That created content needs to be copied into the docs/ folder of
this git repository.
Usage
Groovy
It can be used in Groovy by including the
Bacting managers you need. The following example tells Groovy to download the CDKManager
and instantiate it for the given workspace location (as it if was running in Bioclipse
itself), and then converts a SMILES
string to a Bioclipse IMolecule data object:
```groovy @Grab(group='io.github.egonw.bacting', module='managers-cdk', version='1.0.7')
workspaceRoot = "." def cdk = new net.bioclipse.managers.CDKManager(workspaceRoot);
println cdk.fromSMILES("COC") ```
Python
Bacting can also be used in Python 3.7 (and higher) with pybacting and scyjava.
Pybacting
Pybacting can be installed with pip install pybacting (or pip3, depending on your platform).
The above code example looks like:
```python from pybacting import cdk
print(cdk.fromSMILES("COC")) ```
Pybacting uses a specific Bacting version, so check the website to see which Bacting version you are using.
Scyjava
Scyjava can be installed with pip install scyjava (or pip3, depending on your platform).
The code example looks like:
```python from scyjava import config, jimport config.add_endpoints('io.github.egonw.bacting:managers-cdk:1.0.7')
workspaceRoot = "." cdkClass = jimport("net.bioclipse.managers.CDKManager") cdk = cdkClass(workspaceRoot)
print(cdk.fromSMILES("COC")) ```
Code examples
Full code examples can be found in the following sources:
- Open Notebooks for Wikidata, including:
- Open Notebooks for WikiPathways:
- Some examples from A lot of Bioclipse Scripting Language examples:
API Coverage
For the time being, the coverage of the original API is incomplete. Particularly, manager functionality around graphical UX in the original Bioclipse may never be implemented. Each Bacting release will implement more APIs and the release notes will mention which managers and which methods have been added. An overview of the supports APIs can be found in this overview.
For a description of the API, I refer to the book A lot of Bioclipse Scripting Language examples that Jonathan and I compiled. However, a JavaDoc API is also available.
All Bacting scripts will be backwards compatible with Bioclipse. If you want to install Bioclipse and see its wonderful UX in actions, download Bioclipse 2.6.2 here.
Using SNAPSHOT versions
You may need to occassionally delete the modules cached by Groovy, by doing something like, to remove earlier SNAPSHOT versions:
shell
\rm -Rf ~/.groovy/grapes/io.github.egonw.bacting/
Copyright and authors
Code in this repository contains mostly code that originated from Bioclipse and the headers of the individual source code files describe who contributed to that code of that class, but unfortunately this code ownership is not always clear. I refer to the various Bioclipse code repositories for the git history for detailed information.
Owner
- Name: Egon Willighagen
- Login: egonw
- Kind: user
- Location: Maastricht, The Netherlands
- Company: @BiGCAT-UM
- Website: https://chem-bla-ics.blogspot.com/
- Repositories: 530
- Profile: https://github.com/egonw
Open scientist teaching and doing research at Maastricht University.
JOSS Publication
Bacting: a next generation, command line version of Bioclipse
Tags
bioinformatics cheminformatics BioclipseCitation (CITATION.cff)
cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: Willighagen
given-names: Egon
orcid: https://orcid.org/0000-0001-7542-0286
title: Bacting
version: 1.0.7
date-released: 2025-08-16
doi: 10.5281/zenodo.2638709
url: "https://github.com/egonw/bacting"
preferred-citation:
type: article
authors:
- family-names: Willighagen
given-names: Egon L.
title: "Bacting: a next generation, command line version of Bioclipse"
year: 2021
month: 6
day: 23
journal: Journal of Open Source Software
volume: 6
issue: 62
doi: 10.21105/joss.02558
url: https://doi.org/10.21105/joss.02558
GitHub Events
Total
- Create event: 5
- Issues event: 1
- Release event: 4
- Watch event: 1
- Issue comment event: 4
- Push event: 23
- Pull request event: 11
- Fork event: 2
Last Year
- Create event: 5
- Issues event: 1
- Release event: 4
- Watch event: 1
- Issue comment event: 4
- Push event: 23
- Pull request event: 11
- Fork event: 2
Committers
Last synced: 7 months ago
Top Committers
| Name | Commits | |
|---|---|---|
| Egon Willighagen | e****n@g****m | 812 |
| Daniel Mietchen | d****n@g****m | 1 |
Issues and Pull Requests
Last synced: 6 months ago
All Time
- Total issues: 55
- Total pull requests: 77
- Average time to close issues: 5 months
- Average time to close pull requests: 22 days
- Total issue authors: 5
- Total pull request authors: 5
- Average comments per issue: 0.95
- Average comments per pull request: 1.08
- Merged pull requests: 33
- Bot issues: 0
- Bot pull requests: 6
Past Year
- Issues: 1
- Pull requests: 13
- Average time to close issues: N/A
- Average time to close pull requests: about 2 months
- Issue authors: 1
- Pull request authors: 3
- Average comments per issue: 0.0
- Average comments per pull request: 0.85
- Merged pull requests: 6
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- egonw (48)
- Zethson (3)
- kozo2 (2)
- arcuri82 (1)
- DeniseSl22 (1)
Pull Request Authors
- egonw (72)
- dependabot[bot] (6)
- Haoyu-Gao (2)
- Daniel-Mietchen (1)
- larsgw (1)
Top Labels
Issue Labels
Pull Request Labels
Packages
- Total packages: 27
- Total downloads: unknown
-
Total dependent packages: 51
(may contain duplicates) -
Total dependent repositories: 16
(may contain duplicates) - Total versions: 1,373
repo1.maven.org: io.github.egonw.bacting:bacting-core
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/bacting-core/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-ui
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-ui/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-cdk
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-cdk/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-rdf
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-rdf/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-inchi
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-inchi/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-excel
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-excel/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-bridgedb
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-bridgedb/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-pubchem
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-pubchem/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-chemspider
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-chemspider/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-cdkdebug
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-cdkdebug/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:net.bioclipse.managers.wikidata
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/net.bioclipse.managers.wikidata/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-opsin
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-opsin/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:net.bioclipse.managers.jsoup
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/net.bioclipse.managers.jsoup/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-biojava
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-biojava/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-xml
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-xml/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-oscar
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-oscar/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-bioinfo
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-bioinfo/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-search
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-search/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:net.bioclipse.managers.pubmed
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/net.bioclipse.managers.pubmed/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:net.bioclipse.managers.doi
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/net.bioclipse.managers.doi/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-semweb
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-semweb/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-nm
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-nm/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:bacting-bundle
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/bacting-bundle/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:net.bioclipse.managers.duckduckgo
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/net.bioclipse.managers.duckduckgo/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-core
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-core/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:managers-cheminfo
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/managers-cheminfo/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
repo1.maven.org: io.github.egonw.bacting:bacting
Bacting := acting as the Bioclipse TNG. Bioclipse version that can be used from the command line, e.g. with Groovy.
- Homepage: http://www.github.com/egonw/bacting
- Documentation: https://appdoc.app/artifact/io.github.egonw.bacting/bacting/
- License: Eclipse Public License v1.0 + GPL Exception
-
Latest release: 1.0.7
published 6 months ago
Rankings
Dependencies
- io.github.egonw.bacting:bioclipse-core ${bioclipse.version}
- io.github.egonw.bacting:bacting-core 0.0.39
- io.github.egonw.bacting:managers-biojava 0.0.39
- io.github.egonw.bacting:managers-bridgedb 0.0.39
- io.github.egonw.bacting:managers-cdk 0.0.39
- io.github.egonw.bacting:managers-cdkdebug 0.0.39
- io.github.egonw.bacting:managers-chemspider 0.0.39
- io.github.egonw.bacting:managers-excel 0.0.39
- io.github.egonw.bacting:managers-inchi 0.0.39
- io.github.egonw.bacting:managers-opsin 0.0.39
- io.github.egonw.bacting:managers-oscar 0.0.39
- io.github.egonw.bacting:managers-pubchem 0.0.39
- io.github.egonw.bacting:managers-rdf 0.0.39
- io.github.egonw.bacting:managers-ui 0.0.39
- io.github.egonw.bacting:managers-xml 0.0.39
- io.github.egonw.bacting:net.bioclipse.managers.wikidata 0.0.39
- io.github.egonw.bacting:bacting-core 0.0.39
- org.biojava:core ${biojava.version}
- org.biojava:sequencing ${biojava.version}
- org.junit.jupiter:junit-jupiter ${junit.version} test
- org.junit.jupiter:junit-jupiter-engine ${junit.version} test
- io.github.egonw.bacting:bacting-core 0.0.39
- io.github.egonw.bacting:bioclipse-bridgedb ${bioclipse.version}
- org.bridgedb.webservice:org.bridgedb.webservice.bridgerest ${bridgedb.version}
- org.bridgedb:org.bridgedb.bio ${bridgedb.version}
- org.bridgedb:org.bridgedb.rdb ${bridgedb.version}
- io.github.egonw.bacting:managers-ui 0.0.39 test
- org.junit.jupiter:junit-jupiter ${junit.version} test
- org.junit.jupiter:junit-jupiter-engine ${junit.version} test
- io.github.egonw.bacting:bacting-core 0.0.39
- io.github.egonw.bacting:bioclipse-cdkbusiness ${bioclipse.version}
- org.openscience.cdk:cdk-depict ${cdk.version}
- org.openscience.cdk:cdk-extra ${cdk.version}
- org.openscience.cdk:cdk-interfaces ${cdk.version}
- xom:xom ${xom.version}
- io.github.egonw.bacting:managers-ui 0.0.39 test
- org.junit.jupiter:junit-jupiter ${junit.version} test
- org.junit.jupiter:junit-jupiter-engine ${junit.version} test
- io.github.egonw.bacting:managers-cdk 0.0.39
- org.openscience.cdk:cdk-diff ${cdk.version}
- org.junit.jupiter:junit-jupiter ${junit.version} test
- org.junit.jupiter:junit-jupiter-engine ${junit.version} test
- io.github.egonw.bacting:managers-cdk 0.0.39
- org.junit.jupiter:junit-jupiter ${junit.version} test
- org.junit.jupiter:junit-jupiter-engine ${junit.version} test
- io.github.egonw.bacting:bacting-core 0.0.39
- io.github.egonw.bacting:bioclipse-cdkbusiness ${bioclipse.version}
- io.github.egonw.bacting:bioclipse-inchi ${bioclipse.version}
- org.openscience.cdk:cdk-interfaces ${cdk.version}
- xom:xom ${xom.version}
- io.github.egonw.bacting:managers-cdk 0.0.39 test
- org.junit.jupiter:junit-jupiter ${junit.version} test
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