安装chemscript ###########基础知识点########################### WriteFile(file, format=None)Write StructureData or Reaction into a file with file format indicated by *format*. If *format* is not specified, the file extension is used. *format* can be a full mime type, or the second part of a mim ...
这个脚本需要在pymol中使用 #################### from pymol import cmd from pymol import stored #function:count the number of residue around 3,4, 5,A #to improve the accurancy of count,you should make sure the pdb just contain one drug result= #print selectline #cmd.do(remove all !chain a ...