Dear Chemaxon Support,
I found very useful the command line tools (molconvert, cxcalc, evaluate, presently using version: 188.8.131.52), however I am constantly facing the problem that I cannot write a smiles file with multiple columns. With evaluate previously I could write an output with different columns with this command:
evaluate -g -e reos_rules.txt -x smiles:T:f1:f2:f3:f4 i.smi -o output.smi
In the input file these columns are separated with tab. In the output the tabs are put between the columns, however, no data is present. Can you please tell me, that how should be this problem properly solved?
With this command I want basically to remove those compounds which do not pass through the reos filter. These "rows" should be removed and the rest should be kept with all the properties which were generated before.