Programmatically read structure in JC4XL files

User 5583b362df

15-06-2012 18:48:35


we are trying to ready structures directly from JC4XL files.  Could you let me what format this structures stored in excel files?  I notice it is started with JChemExcel-.  Thx.



ChemAxon bd13b5bd77

15-06-2012 19:19:25

Hi Tim,


A column: Hash (identifier)
B column: Chunk size of the molecule string (in column count)
C column: molecule format
D column and above:  Chunks in Gzip, Base64 format prefixed with JChemExcel



User 5583b362df

15-06-2012 21:13:00

Thanks, Viktor

ChemAxon bd13b5bd77

16-06-2012 11:28:44


we have API for direct read of structures:

[By using Open XML API an XML-based Excel file can be handled programmatically. For example adding and getting structures from a JC4XL workbook can be easily done without any Excel installation.]

Where do you read the structure from? What type of application (.NET)? Or vba, C++?