You are here

Unsolved

The problem hasn't been solved

READ THIS BEFORE YOU POST

When posting build/install question please specify the following information about your system and PyRosetta version, this will allow us to answer your questions more accurate and faster:

- OS type,
- OS version
- OS arch (32 or 64bit)
for example: Ubuntu Linux 10.04 32Bit or Mac OS X 10.6

- Python version
- Python arch (32 or 64bit) if different from OS

- Version of PyRosetta including SVN revision number.

Thank you!

Post Situation: 

Symmetry definition question

Category: 
Symmetry

Hello!

I'm relatively new to Rosetta and I'm trying to apply symmetry in the BlueprintBDR. As I only know that I want C3 symmetry I used the general symmdef file for this symmetry. Still, I noticed that it just rotates the subunits with no translation from the COM of the arrangement, which leads to an overlap in residue coordinates, which in turn leads to problems in the minimization protocol. I have attached a picture of an example of what I got and the symmdef file used to obtain it.

Any help is greatly appreciated!

Post Situation: 

On iterations in ddg_monomer

Category: 
Structure prediction

Dear community, 

I am just beginning to explore Rosetta with some mutational analysis. 

Currently exploring ddg_monomer. 

From what I have read so far, ddg_monomer doesn't have parallel support. 

Could I please know if setting 

-ddg::iterations 1

and then repeating the above 49 other times, to make a total of 50 predictions and then choosing the top three stated in the manual would produce similar results as setting 

-ddg::iterations 50

and running only once. 

Post Situation: 

GeneralizedKIC side chain closure.

Category: 
Design

Hi all,

I want to generate cyclic peptides in a binding site employing the anchor design approach similar to https://www.nature.com/articles/s41467-021-23609-8 and  https://www.pnas.org/doi/suppl/10.1073/pnas.2012800118. I need to do the closure by amidation between two side chains (K/E) or side chain/C-terminal.

Post Situation: 

Pages

Subscribe to RSS - Unsolved