You are here

Design

How to use the <CavityVolume> filter in the released version of Rosetta

Category: 
Design

I am trying to replicate the work of the paper entitled "De novo design of potent and selective mimics of IL-2 and IL-15”​.

However, I get the following error when I run Rosetta Script (Rosetta 2019.14) with deNovoPreprofiledMimeticsDesign_gen2.xml:

Error messages were:
From line 38:
Error: Element 'CavityVolume': This element is not expected.

Post Situation: 

loop design for Conformational bias

Category: 
Design

Hi

   I have a protein with two domain connected by short loop.  depending on ligand and post-translational modification, it adopt open or close conformation. I want to design the loop residues so that I can shift the equilibrium towards close conformation.  what is the best way/protocol to do that in Rosetta?

 

Thank you

Dhiraj

Post Situation: 

error in peptiderive job result

Category: 
Design

I am submitting the job correctly as shown in the sample data. The pdbid that i am submitting has only one chain, as in the original protein structure. The chain that is present has the catalytic site, binding site. Still the error after the job completion says resubmit or check that the pdbid should have two or more than two chains, so i tried submitting another protein pdbid, which has two chains, still the error shows same display. 

Hoping for the help from your side as early as possible.

Thankyou.

Post Situation: 

How to determine the value size in block of *.cst files?

Category: 
Design

HELLO, everyone,

I am a begineer of Rosetta de nevo peotein design and want to design an enzyme using rosettamatch, however it is complicated even i have read its method carefully. Recently, I am trying to use demos, and i found that are really helpful and important. But some used files need to be made by hand, such as the *.cst file. The question is how to determine the value size in block of *.cst files to constrain a ligand and residue interaction, including :

Post Situation: 

How to determine the value size in block of *.cst files?

Category: 
Design

HELLO, everyone,

I am a begineer of Rosetta de nevo peotein design and want to design an enzyme using rosettamatch, however it is complicated even i have read its method carefully. Recently, I am trying to use demos, and i found that are really helpful and important. But some used files need to be made by hand, such as the *.cst file. The question is how to determine the value size in block of *.cst files to constrain a ligand and residue interaction, including :

Post Situation: 

is it necessary to always run relax before any Rosetta

Category: 
Design

I performed p_mut_scan to see if certain mutants make the protein more stable. Is it absolutely necessary to run Relax (1) before running anything [2] like pmut_scan or ddg_monomer. I have already done about 6 months of work with these without Relax. Surprisingly, pmut_scan did correctly predict 2 mutants.

-> Do I have to redo everything since I did not relax the structure?

->Another question: What is the meant by "options_annealer"  section in the documentation: " By default, fixbb uses the standard annealer used" [3]

Post Situation: 

protocols.jd2.JobDistributor: [ ERROR ]

Category: 
Design

Hi I met the error "protocols.jd2.JobDistributor: [ ERROR ] " when I run antibody_designer of RAbD, that I tried to use 3ogo.pdb (renumbered with PyIgClassify), which is a nanobody-antigen complex structure, as input.

Has anyone come across the same error before?

My command was:
/home/cltam/Desktop/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/antibody_designer.static.linuxgccrelease -s 3ogoOut.pdb -primary_cdrs H3 -graft_design_cdrs H3 -seq_design_cdrs H1 H2 -allow_omega_mismatches_for_north_clusters

Post Situation: 

Usage of the TaskOperations "RestrictToCDRsAndNeighbors"

Category: 
Design

Hi, I would like to include the TaskOperations "RestrictToCDRsAndNeighbors" in my xml file which is to design the CDR in an antibody-antigen interface.

However, I do not know what to put as options under the arguments "numbering_scheme" and "cdr_definition"

From the manual, the explanations are

Post Situation: 

Pages

Subscribe to RSS - Design