Open alyferryhalo opened 2 years ago
Hi, Have you installed mmpdb successfully? I can not find any installation guide from the README.md file, either
Hey.
If I remember well, I did this (on macOS Monterey 12.01):
conda create -c conda-forge -n mmpdb rdkit
conda activate mmpdb
conda install -c conda-forge apsw
cd Documents
mkdir mmpdb
cd mmpdb
git clone https://github.com/rdkit/mmpdb.git
cd mmpdb
python setup.py install
And then I checked:
mmpdb help-analysis
You should get a long help output, Hope this will work for you!
Hi,
These commands really work, I have installed this successfully. Thanks for your help!
Thanks for supplying this. I had an issue installing using conda. Even after creating a new environment there were package clashes from conda. The solution was to use mamba instead and everything seemed to work fine:
Also I should mention, you need to add
mamba create -c conda-forge -n mmpdb rdkit python=3.6
initially it just installed 3.11 for me and while the mmpdb --help command works the fragmentation procedure will die without 3.6
Just an idea for docs. It could be pretty helpful if there will be an installation guide in the README.md file.