openbabel / openbabel/openbabel

Use coordgen library for 2D depiction

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#2,015 9 comments 0 reactions 0 assignees View on GitHub

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Dominant language
C++
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Description

  • I believe this to be a bug with Open Babel
  • This is a feature request

Schrodinger has contributed their coordgen library to RDKit for generating 2D depictions under the BSD license.

By all accounts, it produces high-quality depictions and it would be great to adopt a community library for depictions.

Contributor guide

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start by locating Open Babel's existing 2D depiction entry points and reviewing the linked coordgenlibs project and its RDKit integration. Done means Open Babel adopts coordgen for 2D depiction while preserving the relevant existing depiction behavior and interfaces.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp
Domain
computer-graphics
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
25/100

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