Any foreseen update of BioBB for Ambertools 22?

BioBB
1

Hi all,

I recently got a Mac with Apple Silicon and I’d like to use it for Python development. I tried installing BioBB (biobb_amber, in particular) using conda. However, it says it’s not possible to do it because there are no providers for Ambertools 20. Is there any foreseen update of BioBB for use with Ambertools 22?

If not, would anyone know how to install an Ambertools 20 noarch or osx-64 version on a Mac with Apple Silicon? As long as there’s a noarch or osx-64 version, it should be possible to do it in an Apple Silicon chip.

Best regards,

Marcos

2

Hi Marcos,

could you please try to install our AMBER MD Setup demonstration workflow in your machine? I also have an Apple M1 and this workflow, which uses the biobb_amber v3.8, is working fine:

(biobb_AMBER_MDsetup_tutorials_3.8) OROZCO67:biobb_wf_amber_md_setup hospital$ conda list | grep amber
amberlite                 22.0                     pypi_0    pypi
ambertools                22.0            py310h35066de_3    conda-forge
amberutils                21.0                     pypi_0    pypi
biobb_amber               3.8.0              pyhdfd78af_1    bioconda
pdb4amber                 22.0                     pypi_0    pypi

Regards,

-Adam-