acylation / obsidian-chem-indev Goto Github PK

Reference: https://smilesdrawer.surge.sh/use.html

Render code block with keyword 'smiles' by smilesdrawer. Edit block with codes, edit smiles by typing or copy from chemdraw js. https://chemdrawdirect.perkinelmer.cloud/js/sample/index.html#

增加错误捕获与处理机制，Valid/Invalid要做对应返回

Firstly thank you for starring ths repo, @woe-knite and @grisbear.

The plugin is now released in a new and better-maintained repo, obsidian-chem. If you are still interested in what's going on for the plugin, or want to try it out, please refer to the new one, thanks again!

https://github.com/openbabel/openbabel
https://open-babel.readthedocs.io/en/latest/Installation/install.html#compiling-open-babel

Steps

• Optional: Compiling open-babel under msvc
• Wrap open-babel with nodejs, by cmake.js, prebuild & prebuildify
• Publish openbabeljs as a repo (with GPLv2) rather than keep it just in the plugin
• Modify license, for the plugin MIT license or Apache is enough

https://github.com/Mathpix/mathpix-markdown-it
https://github.com/valentine195/obsidian-admonition
https://blog.sciencenet.cn/blog-1213210-1250066.html

Reference: RDKits rdkit/rdkit@f9b47d9

rdkit

Reference: RDKits rdkit/rdkit@f9b47d9

React or Svelte

Choosing React finally

What would you like to be added?

• Chemical equaltion auto detection and
• LaTeX to plain & plain to LaTeX
• Option to enable/disable in settings tab
• Option for full auto/semi auto/manual
  • Full auto: detect and modify directly, support undo to avoid polluting pages
  • Semi auto: detect select content and modify
  • Manual: call out modal and experiment in the modal, than accept/abandon

Why is this needed?

Create chemical equation easily.

https://github.com/kienerj/pycdxml

参照Github网站的样式设置，Light/Dark 跟随Obisidian本体，并允许用户自行选择Light/Dark下对应的主题

• Light/Dark 跟随 Obsidian
• 为两种样式增加 Menu
• 样式 Preview (Render + InputBox)
• 样式编辑器与自定义样式的保存/加载

Use https://github.com/reymond-group/smilesDrawer as SMILES Parser

Notice: The SMILES drawer module implements the complete OpenSMILES specification except for square planar, trigonal bipyramidal and octahedral chirality. These types of chirality are, according to the specification, only implemented by very few SMILES systems and we did not encounter them in any of the organic molecule databases known to us. In addition, the proposed extensions, including external R-groups, polymers and crystals, atom-based double bond configuration, radical centers and twisted SMILES, provided by the OpenSMILES specification are not supported.

Comment: The chiralities described above are useful in coordination chemistry, work on a patch, or use other package rather than this.

Tutorial: https://smilesdrawer.surge.sh/use.html

Use Ketcher-react as 2D Sketcher

3Dmol.js as 3D Render

RDkit.js & openbabel as self-development core

What would you like to be added?

Spectrum viewer and processor to support NMR, MS, IR, UV/Vis

Why is this needed?

Essential for organic chemists