mk_copy_coords.py template not working

forlilab / Meeko

Interfacing RDKit and AutoDock

GNU Lesser General Public License v2.1

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mk_copy_coords.py template not working #23

Closed eneas77 closed 1 year ago

eneas77 commented 2 years ago

Hi,

I´ve installed meeko 0.3.3 via conda. I´m unable to use the mk_copy_coords.py script as the argument -i is not recognized. Checking the code I can see there is no arg for the template section as it was before. Any chance to restore it?

Thanks,

E77

diogomart commented 2 years ago

Yes, sorry, I took it out before releasing 0.3.3 because we wanted to deprecate the feature, but then realized that some people might need it, so I added it back, but it isn't in a release yet. You can get it by installing from source:

git clone https://github.com/forlilab/Meeko
cd Meeko
pip install .