The problem hasn't been solved
Hi,
I´m trying to model a 2 domain protein with a ~140 aa long semi-flexible linker. We have a general idea of relative orientation of the two domains.
Some questions:
Hi,
I'm currently integrating an application ( i developed ) with rosetta, and this app needs to perform matrix diagonalization.
The current (stand alone) application uses an open source algebric library named Eigen.
I guess that due to leagal reasons this library cannot be integrated with rosetta,
and i would like to know if there is a specific algebric library i should use?
Yigal.
Hi everyone,
I try to using AbinitioRelax of Rosetta3.4 to predict the structure of a amino acid sequence (308 residues).
However, even when I used the simple flags file (with no option for optimal performace) that just required the fasta and fragments input files, the script couldn't be run.
Error was "Segmentation fault 11"
First I thought my input file had something wrong, then, I tried to run the demo script (rosetta3.4/rosetta_demos/abinitio) with full inputs file and the flags file like below:
Hi,
I am performing docking claculations using RosettaLigand. I have two questions regarding RosettaLigand docking:
1. How does Rosetta ligand process the ligand conformers fed to dock a structure? I mean does it try all the ligand conformers sequentially in the input file or does it pick them randomly, if so on what criteria?
How can I get a login name and password for csrosetta.org?
I want to use ddg_monomer with multiple simultaneous mutations. According to the documentation (https://www.rosettacommons.org/docs/latest/ddg-monomer.html) this requires a mutation file, instead of the resfile used by other applications.
However, in the example provided by the documentation, there is no use of a chain ID. My structure has multiple chains.
How can I specify a chain ID in the mutation file?
I know that Rosetta's energies are given in Rosetta Energy Units (REU), which are not real free energy units, but which sometimes correlate linearly with real free energies.
This means that if I have a bunch of dGs given by Rosetta, I compare them and interpret these values as Rosetta's telling me that this process is more favorable than this other process, and so on.
Dear all,
Run ab_initio folding , the first step I have to get the fragmet picker first. Can I use the Null_fragment protocol to get fragment. Because I have only the fasta sequence.
Thank you so much and best regards,
Tuong Vy
Dear Friends,
As we know, dG=dH-TdS. In Rosetta total score, the dG is broken down into a range of contributions with different weights. Can we assign some of those contributions to dH and some to dS? How does the temperature T play the role in Rosetta total score? Thank you very much.
Yours sincerely
Cheng
