This folder contains the example run files. ------------------------------------------- For Full docking: Input files: receptor.mmol and ligand.mmol (in PDB format) Output files: PROBEresult.txt, PComplex_<1 .. 10>.pdb The input files (receptor.mmol and ligand.mmol) contain only protein related coordinates. Water and other small solvent molecules are normally removed. Of the two input files, the receptor.mmol is generally of the larger size. ------ For scoring and ranking: The example files for scoring and ranking is at scoring folder. Input files: receptor.mmol, ligand.mmol (in PDB format) and zdock.out transformation file. Output files: PROBEresult.txt, struct/PComplex_<1 .. 76>.pdb The inputs files are protein coordinate files and transformation matrices required to generate the docking poses. ------ For Full Docking: For sample submission upload receptor.mmol as receptor file and ligand.mmol as ligand file. Use default rotation (12 degree) and check (by default it is set) the option to convert MSE to MET. Keep the default value (10) of number of predicted complex. Submit the job. ------ For Scoring and Ranking: For sample submission upload receptor.mmol as receptor file and ligand.mmol as and zdock.out as transformation matrix file. Select the docking search technique as ZDOCK. Submit the job. ------ After successful completion of job, user can download 10 predicted structures PComplex_<1 .. 10>.pdb along with all the score information of 10 complexes in ProbeResult.txt. Receptor and ligand files can also be downloaded from the result page.