[交流] A类错误.A VERY LARGE Solvent Accessible VOID(S) in Structure 已有6人参与

6楼: Originally posted by cfocus20 at 2012-05-31 15:30:32
抱歉是將sqf 裡面內容複製到cif檔內
sqf會有如下面所示內容
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible V ...

7楼: Originally posted by knight1014 at 2012-05-31 23:06:32
这个问题要么使用PLATON程序中的squzee,要么就要将大量无序的水分子找出来，非常麻烦，如果是MOF的话就用第一种方法吧。