Iam a newby with Rosie, I sent a PDB and sdf file with many molecules for Rosie docking, and I got the following input error message:
Job 「№15623」has failed with the message:
molfile_to_params step failed, please double check your input files!
I searched the documentation and for what I know the input PDB and the SDF where in correct format, but of course I maybe wrong...
Could you please explain me what exactly is wrong with the input and how to correct it?
I think I may have found the problem, the hydrogens where missing in the SDF file, I added them with babel, it will work?
Thanks a lot,
Fabian Glaser PHD