Entering edit mode
4.6 years ago
sunyeping
▴
110
Dear Biostars users,
I wish to do some virtual screening with autodock 4. I have split a sdf file contains over a thousand compounds into single mol2 file. However, I find lots of such mol2 files still contain multiple ligands whose coordinates mix together and so can not be split by shell command "csplit". Please find three such examples at:
https://drive.google.com/drive/folders/1AiW00lbA4tRfLu-l47QfxWVn8PqnQ-5J?usp=sharing
Do you know how to write a script to split such mol2 files into single ligands so that large amount of such files can be automatically splited?
Thank you in advances.