Reply To: Increase compactness of decoys

[Sally Ride]

I mean rather decreasing the radius of gyration.

I am folding a structure containing six helices. It folds into two three-helix-bundle units which, however, in most decoys do not interact closely with each other. In other words in most decoys the two helical units do not form common hydrophobic core.

I would like to try to force rosetta to generate higher fraction of “compact” structures.

Regarding the scores: for some random set I have averages:

sasapack 1.57

rg 17.13

After changing -rg_reweight to 2.0:

sasapack 1.63

rg 16.7

And -vdw_reweight 2.0:

sasapack 1.82

rg 17.16

so virtually there is no difference. What else I could do?

> Do you mean you want to increase the packing of the protein?Is there a sasapack score in the outputs?
> What is the average number?
>