I ran from the shell the ff. command:
./cxcalc -S -v *.smi -o filename leconformer
I was wondering why the current output file size for around 4.5 million compounds (in SMILES format, and the only *smi file in the directory, 250 MB size uncompressed) is already around 50 GB!
Does it store all conformers? Or how many conformers on average is written to the file? I was thinking it was only one LE conformer, but looking at the file size, I am stumped.
I have not been able to find any flags for cxcalc that can improve this.