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ssDNA (aptamer)/protein docking

Category: 
Docking

Hello everyone,

I would like to simulate the docking between a ssDNA (aptamer) and a protein. The problem is when I use the protein-protein docking it doesn't work because of the nucleic acid sequence.

Can anyone give me an exemple to realise this job ?

Thanks in advance for your help.

Best regards

Post Situation: 

CDR are not being recognized

Category: 
ROSIE

Hi!!

I had been suscesfully using ROSIE to generate Fab models for a while and lately the server has not able to recognize the CDRL3 and CDRH3 in my antibody sequences. I also tried a sequence that was previously used and modeled but now the server gave an error  

ERROR: CDR L3 cannot be recognized !!!  L3 pattern: C[A-Z]{1,15}(L|F|V|S)G[A-Z](G|Y)

and I dont undestand why  the CDR cant not be recognized now. The pattern of the input seqeunces looks correct. 

I would really aprreacite some help in this matter

Post Situation: 

Pyrosetta build error with anaconda python

Category: 
Compilation

Hello:

We are trying to build Pyrosetta from source since we wish to use the Glib's with anaconda python rather that Glibs with the system python.

First I do:

/share/apps/local/anaconda/bin/python DeployPyRosetta.py

then cp BuildPyRosetta.sh to ...../source

cd ....../source

Post Situation: 

-RBSegmentRelax:cst_wt not present in ca_to_allatom.linuxgccrelease application?

Category: 
Design

 Hey,

I am using Rosetta to build my protein from Ca-trace to all-atom, and then to refine this structure against cryo-em density.

However, when I use these two flags:- RBSegmentRelax::cst_wt 1.0  and -RBSegmentRelax::cst_width 4.0, I am getting the error:

Option matching -RBSegmentRelax:cst_wt not found in command line top-level context

When I remove these two flags, everytging works perfectly.

So, my question is: do these two flags are still used by ca_to_allatom application?

Post Situation: 

Error in Loop modeling and other queries

Category: 
Loop Modeling

Dear Rosetta users

I have generated a model by fitting a crystal structure to electron density map using flexible fitting software (MDFF). This is a 864 aa long protein with two domains. However I am not satisfied with the fitting of a specific regions( a stretch of ~50 aa between two domains). This region contains a small helix surrounded by loops. I am trying to remodel this region using rosetta loop modeling and using electron density restraints. I am using following flags in the loop modeling protocol-

Post Situation: 

Structure-sequence alignment generation with selected PDB how?

Category: 
Structure prediction

Dear structure predictors,

For extracting an alignment with the best template I used HHPred.

Which than predicted a chain of a PDB which is not the best one, because it doesn´t contain an important N-terminal part of my target. 

I would like to use another chain of this PDB but HHPred doesn´t predict it.

Is there a possibility to have a sequence structure alignment between a defined PDB and my target protein sequence with same quality HHPred does?

Post Situation: 

modified Serine: FoldTree::reorder( 1 ) failed, new/old edge_list_ size mismatch error

Category: 
Chemically Modified Residues

 

 Hello.

 I am parametrizing a new residue, the SER, which would be chemically linked to a ligand 4'-PHOSPHOPANTETHEINE (PNS). The connection invovlves SER (here renamed to SEX) CB and O23 of the ligand. 

I had no problem with parametrizing the ligand. However, I am not able to properly parametrize the SER residue.  The error I get is:

core.conformation.Conformation: [ WARNING ] missing heavyatom:  OXT on residue TYR:CtermProteinFull 85

Post Situation: 

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