MDAnalysis / UserGuide

User Guide for MDAnalysis
https://userguide.mdanalysis.org
22 stars 31 forks source link

Update PDBQT reference #322

Closed pgbarletta closed 9 months ago

pgbarletta commented 9 months ago

Fixes #319.

In the end I just updated some links, fixed some wrong info and updated the table at the end. I didn't specifically say that we now keep the chainID instead of discarding it, since that's the default behaviour one would expect after reading the first sentence:

MDAnalysis reads coordinates from `PDBQT`_ files and additional optional
data such as B-factors, partial charge and `AutoDock`_ atom types.

Let me know if you still want me to specifically mention chainIDs and segids.


:books: Documentation preview :books:: https://mdanalysis--322.org.readthedocs.build/en/322/