Marco Giulini
Marco Giulini
hey there, I don't know whether this PR is closed, but I found a bug in the new implementation of the code. Take pdb file [2qxf](https://www.ebi.ac.uk/pdbe/entry/pdb/2qxf): if you run the...
thank you @joaomcteixeira I just linked the corresponding issue in the artic3d repo
hi Joao! no worries, I could actually try to give a look into it by myself, as I would like to use `pdb_selaltloc` in another application, what do you say?
I'll look into it!
I understood the problem, but I think it would take ages for me to solve it without breaking the code, as the algorithm is very complicated. the problem occurs when...
> Thanks for all this input Marco. Addressing it in steps: > > **1)** > > > according to the old implementation the residue ILE 25 should be excluded, but...
It is there indeed (ILE25 and LEU25 are almost superimposed), but in the original file https://files.rcsb.org/view/3U7T.pdb ILE25 has the alternate location label A, so basically there are AILE and BLEU...
> The way I see it, `ILE 25` and `LEU 25` are two options of the same alt loc group here is the question: should we consider the simple space...
Hi Joao, yes, your solution makes sense..if the user submits a pdb with two amino acids having same chain-resnum..well, there's nothing you can do about it the important thing is...
> > > This should be added together with the other restraints at https://github.com/haddocking/haddock-restraints, not here > > > > > > I do not agree. This is haddock3 python...