OpenFreeEnergy / OpenFreeEnergy/openfe
[docs] Adding information on system setup to the userguide
Open
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documentation
- Dominant language
- Python
- Stars
- 332
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
We should add more information on how to build a system with OpenFE and how to handle key components. For example:
- How to deal with crystallographic waters
- How to deal with disulfide bonds
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Locate the user guide and review its existing system-setup structure first. Add clear guidance on building a system with OpenFE, including how to handle crystallographic waters and disulfide bonds; done means these component-specific cases are documented for users.
Written by the indexing model from the issue text.
Assessment
- Domain
- documentation
- Issue type
- Documentation
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Quiet
- Clarity
- Mostly clear
- Newbie friendliness
- 48/100