Preserving user-drawn atom coordinates with JChem Cartridge

ChemAxon aa7c50abf8

18-10-2006 12:35:29

Quote:
Is there a recommended method to draw / register molecules into the JChem cartridge to preserve the user drawn coordinates, such as exist in a molfile?
If you are using regular structure tables, the original compounds will be left intact in the columns during indexing with jc_idxtype.





With JChem tables, the original structures will be stored unaltered in the cd_structure -- with the following exception: if structure compression is turned on (default behaviour), MOL files and SDFiles will be compressed using a propriatery algorythm (and tags will be removed from SDFiles). The compression format is, of course, understood by Marvin and JChem utilities/functions. Compression can be turned off/on using the JChemManagerGui (File / Options - Advanced tab).