Jonathan Lefebre

icon company University of Vienna icon location Vienna, Austria icon location PhD Student in Rademacher Lab (Molecular Drug Targeting Group, University of Vienna)

Results 3 comments of Jonathan Lefebre

Pairwise multiple structure alignment

The available methods tend to be rather slow, at least from what I have experienced when using many rather heterogenous structures. What about MMLigner, MDAnalysis aligner or Theseus?

Pairwise multiple structure alignment

I just tried the OpenCADD wrappers. The only caveat here is that everything is based on MDanalysis Universe objects, meaning Atomgroups defined in Prody cannot be directly fed into the...

Pairwise multiple structure alignment

I see! Thanks a lot for your help. I am just having trouble understanding the different purposes of the alignment functions in the Structure Comparison module. But I think in...