Split mol2 file with python (-> 2016.04.17 Also supports sdf file)

I had to split the compound with more than 1 million entries into several files, so I looked it up.

At first I was looking at open babel etc. http://openbabel.org/wiki/--splitinto As far as I can see, it seems that this function is not implemented as of openbabel 2.3.0, and 2.3.1 at hand was also useless.

So I made my own code. Just move for the time being! The soul is revealed! https://github.com/keisuke-yanagisawa/python-tools/blob/master/split_mol2.py

python split_mol2.py hoge.mol2 #Default for every 10000 compounds
python split_mol2.py -n 100 hoge.mol2 #Divided every 100 compounds

You can use it like this.

A -v option is also provided so that you can see what name the file is being output.

2016.04.17 It also supports sdf files. (The way of execution has not changed https://github.com/keisuke-yanagisawa/python-tools/blob/master/split_sdf.py

python split_sdf.py hoge.sdf #Default for every 10000 compounds
python split_sdf.py -n 100 hoge.sdf #Divided every 100 compounds
python split_sdf.py -v hoge.sdf #You can see what the name of the file was output

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