User 1efa2c4884

10-11-2010 18:33:08

I have another newbie question... I have a spreadsheet that has ~200 cells that contain structures and I hope to calculate some properties for these structures using JChem for Excel. To complicate things a little bit, some of these cells contain multiple structures, so for those cells, I would like JChem for Excel to spit out a sum of whatever property I am calculating. For example, if there are two structures (structure *B *and structure *C*) in cell **A1** and I am calculating the number of hydrogen bond acceptors, then I would like the function **JChemExcel.Functions.JCAcceptorCount(A1)** to calculate the total number of HBAs (*B*'s HBAs + *C*'s HBAs). However, I noticed that the function seems to randomly select a structure and calculate the AcceptorCount for that selected structure, rather than calculating the AcceptorCount for both structures *B *and *C* and giving a sum of the counts. I ended up separating the structures in to different cells, calculating the HBAs for each structure, and adding those numbers. Is there a way to tell JChem for Excel to sum up the values when multiple structures exist in a given cell?

Thank you!