RosettaCommons / RosettaCommons/atomworks

Do I need to setup CCD and PDB PATH mirrors, if I just want to prepare .cdf and .sdf files from .pdb for use in RF3?

Open
#78 5 comments 0 reactions 1 assignee View on GitHub

@nscorley is already working on this.

Since Mar 16, 2026.

question
Dominant language
Python
Stars
446
Forks
52
No merged PRs in 30d

Description

I'm trying to setup atomworks so I can prepare properly formatted .sdf/.cdf files for RF3 from .pdb files. I think I have the install setup correctly, but if I just want to set up a simple file conversion/formatting for RF3, do I necessarily need to download local copies of the CCD and PDB?

Contributor guide

No contributing guide indexed for this repository

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.

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.