Sebastian Raschka

No pressure. This is a hobby project, so whenever you have time and feel like it :)

Thanks for sharing, that's very helpful. Maybe worthwhile adding it as a utility function to biopandas some time!

Hi there, yes, you are right, right now it only computes the RMSD if the two amino acid sequences are the same. Like you suggested, a function that can handle...

It would be a good feature to add. Currently it is not planned for the near-term though.

Thanks for the note. Just looking at it, I think only the license file is affected (the requirements.txt is in the folder when I download the 2.6 tar.gz from from...

Hi, I just see that I didn't seem to have implemented something like that. There are some easy ways to do that using pandas base functionality. E.g., to decrease the...

Good point. Yeah, with the renumbering, there are so many things to consider, all of which are pretty use-case specific. (Probably why I haven't made such a function/method in the...

Sounds good, I agree. I am currently caught up with a pretty long to do list of other things (and the semester is going to start Tue); so I am...

It should be the "usual" RMSD equation, i.e.  (https://en.wikipedia.org/wiki/Root-mean-square_deviation_of_atomic_positions) Here's a link to the actual code: https://github.com/rasbt/biopandas/blob/master/biopandas/pdb/pandas_pdb.py#L152 and the relevant lines are...

Yeah, I see that the last update for most of the scripts was ~2 years ago. Unfortunately, I have too many other projects to spend time on updating it right...