Zhiyi Wu

@lohedges So I'm trying to mimic the https://github.com/michellab/BioSimSpace/blob/devel/python/BioSimSpace/_SireWrappers/_system.py#L704 by doing `mol._sire_object.search("decoupled")` But doing this a molecule with `mol._sire_object.property('is_decoupled').value() == True` would just give me cryptic error so I think using...

@lohedges Thanks. I think `is_perturbable` is a bit complicated as one always expect `molecule0` and `molecule1`. I'm currently trying the decoupled approach. I wonder what are the things that I...

@chryswoods Thank you. Sorry, I'm a bit confused as to what is at the BSS level and what is at the Sire level? `mols = system["property is_decoupled == True"]` I...

@chryswoods Thanks. `edit_mol.set("is_decoupled", True)` this will be really good.

@lohedges Thanks for the explanation. So on the M1 mac, I could install the Sire normally on M1 mac. The tricky bit is installing the BSS, which in the last...

@lohedges Sorry, I think there might be some misunderstanding here. Just to make sure that we are on the same page. I wonder if you have tested that the current...

@lohedges Thank you. It is kind of weird that it doesn't work on my computer. Sorry for keep asking this question. I wonder if you have tested this? ``` #...

@lohedges Ok, then this might be a Mac issue or that the transition layer is not applied properly. If I don't have gsl=2.7.0 then I got the error ``` Traceback...

@lohedges With regard to gsl, the gsl installed during is `pkgs/main/osx-64::gsl-2.7.1-h0cefce6_0` It seems that only gsl-2.7.0 could be recognised by BSS. Sorry, the conda dependency is not needed when one...

@lohedges Thank you. So I have attached the full log of setting up the env, where the conda is running on top of the transition layer. ``` (base) zwu@EXS-001525 ~...