CDK Depict 1.10

What's Changed

• Allow input from V3000 CT/SD files by @johnmay in #57
• Show unspecified stereochemistry by @johnmay in #56
• Fix library link & remove unnecessary ` by @nobkd in #58
• Be explicit with the spring-boot-maven-plugin version by @mjw99 in #61
• Various minor dependencies upgrades by @mjw99 in #62
• Migrate to Junit5 by @mjw99 in #63
• Migrate docker image from deprecated openjdk to eclipse-temurin by @mjw99 in #64
• Options for reaction arrows and dative bonds by @johnmay in #59
• Dep updates by @mjw99 in #68
• three additional abbreviations by @nbehrnd in #71
• Support Spring 6 / Jakarta EE by @johnmay in #70
• Reaction sets by @johnmay in #72
• Abbreviation handling by @johnmay in #73

New Contributors

• @johnmay made their first contribution in #57
• @nobkd made their first contribution in #58
• @nbehrnd made their first contribution in #71

Full Changelog: 1.9.3...1.10

CDK Depict 1.9.3

What's Changed

• CDK v2.8 https://github.com/cdk/cdk/releases/cdk-2.8
• Add Actions CI by @mjw99 in #42
• Dep upgrades and gitignore tweaks by @mjw99 in #43
• Minor deps updates by @mjw99 in #44
• Correct Docker invocation and dep updates by @mjw99 in #46
• Include maven in docker build, allow non-root users of container. by @C-nit in #47

New Contributors

• @mjw99 made their first contribution in #42
• @C-nit made their first contribution in #47

Full Changelog: 1.9.2...1.9.3

CDK Depict 1.9.2

Bump dependencies to mitigate vulnerabilities.

Version 1.8

• Don't regenerate coordinates if they are provided via a MOLfile or CXSMILES
• Use CDK 2.7.1

Version 1.7

Update to CDK v2.6.

Version 1.6

• Restyle the front end UI
• Updated reagents abbreviations to included counter ion and covalent forms (e.g. both [K]OC(=O)O and [K+].[O-]C(=O)O)
• Add rotate and flip options
• Add links to quickly download the PNG, SVG, or PDF on mouse over
• Support for enhanced stereochemistry, input via CXSMILES

C[C@H](O)CC |&1:1|
C[C@H](O)CC |r|

C[C@H](O)CC |o1:1|

C[C@H](O)[C@H](O)CC |&1:1|

• Fix bug with atom maps being display on contracted groups

Version 1.5

• Support ligand order in depictions CXSMILES, this is used to indicate the attachment ordering of attachments around an R group.

R is selected from or

• Fix atom-map colouring of "complete" atom-mapping style

Version 1.2

• Use CDK v2.2
• Modularise the WebApp so it can be included in larger applications

Version 0.3

• Control of hydrogen display
• CIP stereo descriptors (using Centres)
• New themes, cot (color on transparent) and bot (black on transparent)
• Less aggressive abbreviations, disabled hetero atom abbreviation contract