Skip to main content

Library for publication quality depictions of small molecules.

Project description

Xenopict

Xenopict is a package for generating publication quality 2D depictions of small molecules, with special attention to "shading" molecules with atom or bond level properties. This package relies on RDKit generation an initial SVG depiction of the input molecule.

Documentation is currently sparse, but see the notebook directory for several examples of use.

This package is in beta. It's API is still subject to substantial revisions. It is in active use by our laboratory, and several bugs and features are added frequently.

CircleCI

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

xenopict-0.1b0.tar.gz (27.6 kB view details)

Uploaded Source

File details

Details for the file xenopict-0.1b0.tar.gz.

File metadata

  • Download URL: xenopict-0.1b0.tar.gz
  • Upload date:
  • Size: 27.6 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/4.0.1 CPython/3.9.14

File hashes

Hashes for xenopict-0.1b0.tar.gz
Algorithm Hash digest
SHA256 ee23d502caea47ddf284e3b10b68cb65e87a45afc4bdd293899d73ae374148a1
MD5 3e3e6090ecf09d0345b3583f94226402
BLAKE2b-256 8afcbf580b67065395ee63d0cea80df1e08e5e5ee8b8fb5071e6f32a57add69a

See more details on using hashes here.

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page