User 677b9c22ff
13-03-2012 06:03:50
Hi,
an invalid filename is ignored in cxcalc, no error is given.
It should at least say, file not found.
Example (works, if exist.sdf is available)
cxcalc conformers exist.SDF -O 0 -m 1 -f sdf
Example (just exits, no error message)
cxcalc conformers no-exist.SDF -O 0 -m 1 -f sdf
Cheers
Tobias