Last week I worked on my Groovy Cheminformatics book and made a
first release for CDK 2.3 (doi:
10.5281/zenodo.3590374). One of the new features is that the Groovy code runs on the command line without having to download or install something first:
 |
| The CreateAtom3.groovy example with @Grab instruction. |
There is yet plenty to migrate from the older paper version and, for example, the
Depiction chapter is still missing.
Anyways, I hope you like it :)
No comments:
Post a Comment