Moiety formula显示[+ solvent]?用squeeze之前的数据找溶剂结构... 我的溶剂只有水,请问根据sqf文件,怎么计算水的大概个数呢 # SQUEEZE RESULTS (Version = 70515) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.164 0.849 -0.099 83 35 ' ' 2 0.336 0.349 0.599 83 35 ' ' 3 0.664 0.651 0.401 83 35 ' ' 4 0.836 0.151 0.099 83 35 ' ' _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ?查看更多