Unsolved

On running antibody.macosclangrelease I was getting a segmentation fault. Now on switching to antibody.static.macosclangrelease I got the following error: SCS_BlastFilter_nonmatching_prolines::apply: Error! Could not cast SCS_Results to SCS_BlastResult

I was able to predict the structures for rest of my antibody models, I don't understand why this particular sequence is giving me a hard time.

Hello,

I am performing Rosetta ligand docking and I generated the .params file for the ligand with molfile_to_params.py file. I was wondering whether the partial charges in the .params file generated in this way are reliable. Or do I need to do DFT calculation or use another method to get the correct partial charges? 

Any suggestion is appreciated.

P.S: I obtained the ligand pdb file from rcsb and then convert it to sdf file. Then I generated the conformers with BCL and finally use molfile_to_params.py.

Dear Rosetta community, 

In our group we are interested in using the RosettaLigandEnsemble (RLE) protocol  (https://doi.org/10.1021/acsomega.7b02059). 

Since we are new to Rosetta, we decided to start by executing the RLE protocol with the example input files provided with the Rosetta source code

(i.e. /PATH/TO/ROSETTA/main/demos/protocol_capture/rosettaligand_ensemble/)

Dear Rosetta community,

I am working with Rosetta version 2020.08.61146. have run into an issue of massive clashes when refining a part of a ribosome structure using FastRelax. I have previously used Fast Relax extensivly as a preliminary refinement step and its usually works wonders. This has been on individual chains and now I want to try to relax an entire subunit however Fast Relax seems to tear a few nucleotides apart. I attached images pre and post FastRelax as well as my RosettaScripts XML and shell output.