Re: [ccp4bb] script for shape complementarity

2017-12-03 Thread Smith Liu
how about modify your selected part of protein into two molecules | | Smith Liu | | 邮箱:smith_liu...@163.com | 签名由 网易邮箱大师 定制 在2017年12月03日 16:21,joy yang 写道: Dear All, can anyone shed a clue on how to define the suface area used in ccp4 sc (shape complementarity) script? The script th

[ccp4bb] script for shape complementarity

2017-12-03 Thread joy yang
Dear All, can anyone shed a clue on how to define the suface area used in ccp4 sc (shape complementarity) script? The script that I could find on internet is as following: sc XYZIN a22.pdb SURFIN1 A.grasp_surf SURFIN2 B.grasp_surf \ SURFOUT1 A.sc_surf SURFOUT2 B.sc_surf <