XDrawChem is an open-source application for drawing and editing two-dimensional chemical structures. It supports CML, SMILES, MDL Mol, CDXML, and its own XDC format, and integrates with OpenBabel for cheminformatics calculations (SMILES, InChI, NMR prediction, 3D).
git clone https://github.com/bryanherger/xdrawchem
cd xdrawchem/xdrawchem # repo root → source subdirectory (yes, both named xdrawchem)
mkdir build && cd build
cmake .. -G Ninja -DCMAKE_BUILD_TYPE=Release
ninja
./xdrawchemRequires Qt 6.4+, OpenBabel 3.x, and CMake 3.19+. See xdrawchem/README.md for full build instructions and dependencies.
| Directory | Contents |
|---|---|
xdrawchem/ |
Current source — Qt5 (qmake) and Qt6 (CMake) |
Looking for the legacy Qt3 or Qt4 codebases? They were removed from
masterafter v2.0.1 to simplify the repository. Check outv2.0if you need them —legacy-xdrawchem-qt3/andlegacy-xdrawchem-qt4/are preserved there and at every earlier tag.
- Releases: here on the right side of the page, and https://sourceforge.net/projects/xdrawchem/files/xdrawchem/
- Issues & PRs: here on GitHub, https://github.com/bryanherger/xdrawchem
- Backlog: See the backlog for known issues and possible enhancements. Open an issue to add to the list.
Bryan Herger — bherger@users.sf.net