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Structure prediction

Scoring correlation with electron density map

Category: 
Structure prediction

I am trying to score how well different protein models fit into one electron desity map. I have tried using the score_jd2 tool with the flags:

"-database /programs/PDB/rosetta-3.13/main/database -in:file:s ./structures/*.pdb  -edensity:mapfile ./emd_12705.map -edensity:mapreso 3.6 -edensity::realign min -cryoem_scatterers true -grid_spacing 2.0 -fastdens_wt 35.0"

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Simple_cycpep_predict with crosslinker BBMB

Category: 
Structure prediction

Hi all,

I'm trying to use simple_cycpep_predict with crosslinker BBMB, and the generated structure (see attached) does crosslink with BBMB.  However, it also does a head-to-tail cyclization between the 2 termini and I would like to not have that happen.  It's not clear to me from the help file how to do that as the default uses head-to-tail cyclization.  Is there a way to turn that off?

Here is the sequence file, the parameters that I'm using, as well as one of the generated structures to illustrate what I am having issues with.

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Your compiler does not have full support for C++ll regex, and therefore can't suport RegEx_based_CDR_Detector/antitody grafting.

Category: 
Structure prediction

Hi there,

One problem with the initial use of antibody application is that there is complie issue shown as the following:

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Grafting using antibody.mpi.linuxgccrelease , the modelled structure does not have constant region of the antibody.

Category: 
Structure prediction

Hello all,
Using this command to graft from a specific template
antibody.mpi.linuxgccrelease -antibody:blastp /home/rosetta/ncbi-blast-2.13.0+/bin/blastp -fasta antibody.fasta -antibody:h1_template  pdb_id
The modelled structure does not have constant portion of the antibody.

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farfar2 failed

Category: 
Structure prediction

Hello

I am trying to model a modified 3D RNA structure using farfar2. 

Job 「№108206」has failed with the message: No output silent files were produced in the FARFAR2 step; please double-check your inputs!

I have checked the input sequence and dot bracket files (PDB file exceeds the maximum allowed size for upload). I don't know, how to solve it. Attaching the input flies. Could someone please help me sort the error.

Thank you

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Error when attempting to relax pdb, "flag_input_relax" not found

Category: 
Structure prediction

I am following the rosetta tutorials and run into an error when attempting to relax a pdb for refinement. The "flag_input_relax" file cannot be opened by rosetta, even though I've granted myself full permissions and even changed it into an executable via chmod 755. I made a copy of the file and it could not open the copy either. Below is the command that gives me the error:

 

rosetta/main/source/bin/relax.default.macosclangrelease -in:file:s ~/rosetta/main/demos/tutorials/input_and_output/input_files/from_rcsb/1qys.pdb flag_input_relax

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Grafting using antibody.mpi.linuxgccrelease and specifying custom template which doesnt have pdb id.

Category: 
Structure prediction

Hello all,
Using this command to graft from a specific template
antibody.mpi.linuxgccrelease -antibody:blastp /home/rosetta/ncbi-blast-2.13.0+/bin/blastp -fasta antibody.fasta -antibody:h1_template  pdb_id

Can we use the same approach for grafting where we dont have a pdb id to specify template and use a specific structure instead ??
 

Post Situation: 

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