[docs] README.md: create installation guide

[alyferryhalo]

Just an idea for docs. It could be pretty helpful if there will be an installation guide in the README.md file.

[liang2508]

Hi,
Have you installed mmpdb successfully? I can not find any installation guide from the README.md file, either

[alyferryhalo]

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!

[liang2508]

Hi,

These commands really work, I have installed this successfully. Thanks for your help!

[gpwood]

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:

[gpwood]

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