一、打开 PyMOL
二、开始表演
依次在 pymol 中间的框框里输入下面的命令
fetch 1OYT
remove resn HOH
h_add elem O or elem N
select 1OYT-FSN, resn FSN #Create a selection called 1OYT-FSN from the ligand
select 1OYT-receptor, 1OYT and not 1OYT-FSN #Select all that is not the ligand
save 1OYT-FSN.pdb, 1OYT-FSN
save 1OYT-receptor.pdb, 1OYT-receptor