jaimergp

I tried too and unfortunately the `salilab` channel has deleted old packages, so `gaudi` dependencies are not satisfiable anymore: ``` $ CONDA_SUBDIR=linux-64 conda create -n insilichem -c omnia -c salilab...

`imp` is only required in the `ligscore` objective, IIRC. I am no longer involved in research, but feel free to connect with @JeanDidier for more work in that direction.

DSX was the first one we implemented, actually! See: https://github.com/insilichem/gaudi/blob/master/gaudi/objectives/dsx.py I'll have a look on the second as well. Thanks!

GH Actions will run on my account until this is merged. Check output [here](https://github.com/jaimergp/gaudi/actions?query=branch%3Agh-actions++).

I will spread the changes over the next few days to check if the Chimera installation errors are time-dependent (Travis seems to be working now) or platform dependent.

Partial support added to `gaudi.genes.torsion` in PR #4 to see how it would work... Seems OK so far, so this will get implemented soon, I'd say.

The cleanest would be "waiting" til deprecations introduced in https://github.com/conda/conda/pull/14227 are effective by March. It seems that users expect the `channels` list in their environment.yml file to be the only...

You'll need to install Chimera separately before pychimera.

This is usually a problem with libraries being loaded. I'll need some more info: * `conda info --all` * `conda activate ` followed by `conda list`

It's technically possible, but I am not sure the Python API is that exposed outside the GUI. There are some scripts here: http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts That said, you might be better off...