User 2466ee5d97
02-06-2010 12:43:58
I'm using libmcs from the command line, is it possible to output to a csv file to include both SMILES and compound ID?
User 2466ee5d97
02-06-2010 12:43:58
I'm using libmcs from the command line, is it possible to output to a csv file to include both SMILES and compound ID?
ChemAxon efa1591b5a
04-06-2010 13:07:46
I'm afraid current version of libmcs does output other data in the CSV that is not relevant for your needs. We will work on a generalisation and we'll let you know when it's available for trying.
Regards
Miklos
User 2466ee5d97
04-06-2010 16:19:10
mvargyas wrote: |
I'm afraid current version of libmcs does output other data in the CSV that is not relevant for your needs. We will work on a generalisation and we'll let you know when it's available for trying. Regards Miklos |
Many thanks