The problem hasn't been solved
I seek the concept of unsatisfied hydrogen bond with google and some paper.
But I can not find the concept. It is strange.
What is the state of hydrogen bond that will be called unsatisfied hydrogen bond?
Thanks~
I'm running a denovo density routine on a server. Oddly enough, the silent files I genrate there are "corrupted" somehow. When I try to score them, I get the following error:
I read the paper Role of conformational sampling in computing mutation-induced changes in protein structure and stability (Kellogg etal.2011),
and set the flags as row 3 , 13 and 16, and some questions comfuses me.
The paper shows the predicted ΔΔG of row 3 is the mean of the mutant energies subtracted by the mean of the wildtype energies.
while that of row 13 and row 16 are defined as the difference between the mutant and wildtype mean of the lowest 3 energy models out of 50.
Dears,
After installing Rosetta 3.9 in a cluster and trying to run the simple command:
helix_preassemble_setup.py -fasta NFKB_1OOA_RNAStructure_2D.fasta -secstruct NFKB_1OOA_RNAStructure.secstruct
we get the following error:
Dears,
After installing Rosetta 3.9 in a cluster and trying to run the simple command:
helix_preassemble_setup.py -fasta NFKB_1OOA_RNAStructure_2D.fasta -secstruct NFKB_1OOA_RNAStructure.secstruct
we get the following error:
Hi There,
I performed the ligand docking protocol with 250K sampling. I would like to use the 'select_best_unique_ligand_poses' application to find the unique binding modes. However, the run gets crashed with an MPI error: killed with signal 9. I thought this is something related to the memory, so I tried using nodes with higher memory, such as 125GB and 500GB, but still, I get the same error.
Can somebody suggest me a workaround for this?
Thanks,
Subha
I'm trying to refine a multimer of alpha-beta tubulin structures. I fitted the structures individually in Chimera and saved it as a single file containing all my alpha-beta tubulin monomers. The structure saved this way contain the alternating A and B chains of the different tubulin units (ABABAB). The refined structures, however, has only two chains A then followed by B. The A chain is the alpha-tubulin chains of all the tubulin units combined, and the B chain is also all the B chains combined (AB, where A = AAAA, and B= BBB).
Dears,
After installing Rosetta 3.9 in a cluster and trying to run the simple command:
helix_preassemble_setup.py -fasta NFKB_1OOA_RNAStructure_2D.fasta -secstruct NFKB_1OOA_RNAStructure.secstruct
we get the following error:
Hello Rosetta Users,
I have been trying to write and test some design protocols using rosetta_scripts. While testing a script, I have come across the following error: