User 5b0088aca4
15-04-2014 18:50:24
I have a large sdf file exported from ISIS that contains a few thousand compounds. In Marvin View, I can see all the compounds in a spreadsheet like format along with the associated metadata. I want to save each row in it's own sdf file along with an SMILES or InChi string. In Marvin View I can click on the Advanced checkbox and I'm able to save each compound in it's own sdf file. However in Marvin Sketch, a single compound will be stripped of chemical fragments like waters of hydration or other associated salts. I'll end up with multiple sdf files for each compound.
I would like Marvin Sketch to behave more like Marvin View when saving an sdf file with multiple compounds into an individual sdf file for each compound.
Thanks.