This repository was archived by the owner on Jul 10, 2024. It is now read-only.

Commit 10bc3d5

committed

resolve round trip issue; add explicit Hs for stereocenters

1 parent 532cd27 commit 10bc3d5Copy full SHA for 10bc3d5

6 files changed

+979

-150

lines changed

lib
- jchem3.jar
src/lychi
- LyChIStandardizer.java
- tautomers
  - SayleDelanyTautomerGenerator.java
- util
  - ChemUtil.java
tests
- exH_test1.sdf
- standardizer_stereo_test57.sdf

6 files changed

+979

-150

lines changed

`‎lib/jchem3.jar`

108 KB

Binary file not shown.

Comments

(0)