diff --git a/README.md b/README.md index 09c3c98..980302a 100644 --- a/README.md +++ b/README.md @@ -2,7 +2,7 @@ # Groovy Cheminformatics with the Chemistry Development Kit -[Edition 2.9-0](https://egonw.github.io/cdkbook/) +[Edition 2.9-1](https://egonw.github.io/cdkbook/) **Egon L. Willighagen** PhD
Long time CDK developer diff --git a/index.md b/index.md index 4e12c22..e6391dc 100644 --- a/index.md +++ b/index.md @@ -20,17 +20,17 @@ "keywords":"cheminformatics, chemoinformatics, java, Groovy, Chemistry Development Kit, CDK", "license":"CC BY-SA 4.0", "url": "https://egonw.github.io/cdkbook/", - "version":"2.9-0" + "version":"2.9-1" } -Edition 2.9-0 +Edition 2.9-1 **Egon L. Willighagen** PhD
Long time CDK developer -© E.L. Willighagen 2011-2023 +© E.L. Willighagen 2011-2024 License: CC-BY-SA 4.0 International @@ -44,6 +44,11 @@ steps forward, but it will take some time for things to iron out. If you find is please report them [here](https://github.com/egonw/cdkbook/issues). If you like this book, please give the [GitHub repository](https://github.com/egonw/cdkbook/) a star. +Most code snippets +in this book are actually Groovy scripts, but [this repository](https://egonw.github.io/chempyformatics/) +has some Jupyter notebook examples. If you want to know how any of those examples translates +to Python, please [file a request here](https://github.com/egonw/chempyformatics/issues). + ## Contents 1. [Introduction](introduction.md)
diff --git a/writingApps.md b/writingApps.md index 6e86439..95e0d27 100644 --- a/writingApps.md +++ b/writingApps.md @@ -5,13 +5,11 @@ in larger programs. But the book has not shown so far what such a larger program can look like. This book is not about Java programming, and therefore did not introduce those aspects of using the CDK. Nevertheless, this section gives a brief introduction on how to write a -Java application, a BeanShell script, and a Groovy script. Most code snippets -in this book are actually Groovy scripts, but [this repository](https://egonw.github.io/chempyformatics/) -has some Jupyter notebook examples. +Java application, a BeanShell script, and a Groovy script. ## A (Very) Basic Java Application -Given you already downloaded the [CDK jar](https://github.com/cdk/cdk/releases/tag/cdk-2.8) file, +Given you already downloaded the [CDK jar](https://github.com/cdk/cdk/releases/tag/cdk-2.9) file, or compiled it from scratch, consider the following piece of Java source code: @@ -31,13 +29,13 @@ This `Java application` can then be compiled with