penzene
ChemDraw-style 2D chemical structures from Python, drawn by the same engine as the Penzene desktop app.
import penzene as pz
doc = pz.from_smiles("CC(=O)Oc1ccccc1C(=O)O") # aspirin
doc.clean()
doc.export("aspirin.svg") # identical to the app's export (also .png, .pdf)
doc.save("aspirin.penz") # open and keep editing in the app
doc.formula, doc.mw # ('C9H8O4', 180.16…)
doc # renders inline in Jupyter
# Build with ChemDraw's hotkeys: from H2N-CH3, "42n152o" makes Ala-Ala
m = pz.Document()
n = m.add_atom("N"); c = m.add_atom("C", x=14.4); m.add_bond(n, c)
m.hotkeys(c, "42n152o")
Also: pz.read(path) for .penz, .mol and ChemDraw .cdxml; to_smiles(), to_molblock(), to_inchi(), to_inchikey(), to_svg(), to_png(dpi); doc.style = "RSC" (or "ACS 1996", "JDP"); abbreviations such as add_atom("Boc").
Penzene brings its own copy of Qt. Loading it into a process that already has PySide6 or PyQt (for example Jupyter with a Qt event loop) may conflict; the plain Jupyter kernel is fine.
GPL-3.0.
1 maintainer
Release files for penzene 0.5.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Built distributions (wheels)
| File | Reset | |||
|---|---|---|---|---|
| penzene-0.5.0-cp312-abi3-win_amd64.whl | CPython 3.12 | abi3 | Windows x86-64 | Details |
| penzene-0.5.0-cp312-abi3-manylinux_2_17_x86_64.whl | CPython 3.12 | abi3 | Linux glibc 2.17+ x86-64 | Details |
| penzene-0.5.0-cp312-abi3-macosx_11_0_x86_64.whl | CPython 3.12 | abi3 | macOS 11.0+ x86-64 | Details |
| penzene-0.5.0-cp312-abi3-macosx_11_0_arm64.whl | CPython 3.12 | abi3 | macOS 11.0+ ARM64 | Details |
Total release size: 133.3 MB
Release files / penzene-0.5.0-cp312-abi3-win_amd64.whl
| Download URL | penzene-0.5.0-cp312-abi3-win_amd64.whl |
|---|---|
| Size | 28.1 MB |
| Tags | CPython 3.12 Windows x86-64 abi3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
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Transparency logRelease files / penzene-0.5.0-cp312-abi3-manylinux_2_17_x86_64.whl
| Download URL | penzene-0.5.0-cp312-abi3-manylinux_2_17_x86_64.whl |
|---|---|
| Size | 43.7 MB |
| Tags | CPython 3.12 Linux glibc 2.17+ x86-64 abi3 |
|
SHA-256 checksum How to use checksums |
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| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
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Transparency logRelease files / penzene-0.5.0-cp312-abi3-macosx_11_0_x86_64.whl
| Download URL | penzene-0.5.0-cp312-abi3-macosx_11_0_x86_64.whl |
|---|---|
| Size | 31.7 MB |
| Tags | CPython 3.12 abi3 macOS 11.0+ x86-64 |
|
SHA-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
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Transparency logRelease files / penzene-0.5.0-cp312-abi3-macosx_11_0_arm64.whl
| Download URL | penzene-0.5.0-cp312-abi3-macosx_11_0_arm64.whl |
|---|---|
| Size | 29.8 MB |
| Tags | CPython 3.12 abi3 macOS 11.0+ ARM64 |
|
SHA-256 checksum How to use checksums |
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f2b36db9997e4508050670aa94eb1f7793d19133d1faf2c603b2e3c094cac6a6
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Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
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