Please build vignette for pdb structure manipulation

Issue #141 resolved
Former user created an issue

Please consider making a vignette that illustrates use of various PDB structure manipulation functions in Bio3d in one place (e.g., trim.pdb, align.pdb, atom.select, combine.select, etc.). Use multi-chain systems as an example if that is what Bio3d is capable of handling. Currently user has to go dig in every function individually and find examples or the code itself to understand how to best use them. Thank you.

Comments (7)

  1. Lars Skjærven

    We can certainly consider some small code snippets on the web-site for this, or even a PDB vignette as you suggest. The examples provided in the documentation should already be a good start for a new user, but there is always room for improvements. Thanks for the comment !

  2. Barry Grant

    I agree, a focused vignette would be good. "Anonymous": We are always happy to take contributions if you would like to make a start on this, which we can then chime in on ;-)

  3. Barry Grant

    I have added some more details for section 3.1 to 3.3. See: 0a1fcbd More required for other sections, including example of concatenating, trimming, splitting, converting, rotating, translating and superposing PDB files. And working with multiple PDB files more broadly. Overall that should probably do it though.

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