I have generated many low resolution decoys from a low-resolution docking run and wish to compare the total scores with whatever the comparable total score would be for the starting structure (which is input as full atom structure). So, the startiing structure would need to be converted to centroid form. Is there any way get the total score for just one input structure, in centroid form without generating decoys. I know that when I use Rosettadock clusttering on the set of decoys, (in silent mode), the total scores are output for each pdb structure, which are identical to the original scores from the low-res docking, but those pdb structures are in centroid mode. So, perhaps a trick is to convert my starting structure to a centroid form (How to do that ?) and then just pick some set of the decoys along with the centroid starting structure, and run quick clustering, which presumably would give some kind of total score for the starting structure.
Thanks in Advance.