Hi Tianzi Wei ,

You can download the library of large no of compounds. ex . zinc database (https://zinc.docking.org/).

You can use autodock vina to screen the molecule library (http://vina.scripps.edu/manual.html#screening )

Dear Akshay Ware and Hershna Patel,

Many thanks for your answer~

I found a software called Openbabel ( http://openbabel.org/wiki/Main_Page ) could prepare a library as well. If you are interested, you may have a try~

Again, thank you very much!

Hi Tianzi Wei ,

I have used it before, the graphical version of Open babel will take more time to convert your library, instead you can use command line functionality of it, sharing the link below:

https://openbabel.org/docs/dev/Command-line_tools/babel.html

Hi Akshay Ware ,

Received with thanks~

Hi I. Muneer

Thanks for your reply, but I am using Windows......