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Unrecognized D-Leu name / C-terminal ACE

Category: 
Design

Hello,

I am designing a macrocycle with simple_cycpep_predict that contains a D-Leu in the N-terminal and an acetylated ASP in the C-terminal. My sequence_file (-cyclic_peptide:sequence_file) is DLE ........ ASP

1) When I run the app it doesn't recognize the D-Leu name:

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Nanobody design

Category: 
Design

Hi everyone,

I am trying to design a nanobody using an available antibody. After grafting heavy chains from an antibody to a known nanobody scaffold, and aligning with the antibody-antigen complex structure, I obtain nanobody-antigen compelx structure. I am trying to use Rosetta design to increase its affinity to antigen as well as sample possible new CDR sequences using the options,

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Problems with ICOOR when generating polymer params file

Category: 
Non-Canonical Peptides

Hello,

We're trying to incorporate a nonanonical amino acid (3, 5-Difluorotyrosine) in my enzyme design protocol. We've been using the molfile_to_params_polymer.py script provided in the demos folder; however, the params file isn't generating correctly (the file is attached below as DFT.params). When running enzyme design protocol, we get the following error:

             "Only the third ICOOR atom in a topology file should list itself as its own dihedral atom"

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ERROR: Unable to open weights/patch file

Category: 
Scoring

Hello,

I am getting the following error:

ERROR: Unable to open weights/patch file. None of (./)ref2015 or (./)ref2015.wts or /cluster/rosetta/bin/mpi/../database/scoring/weights/ref2015 or /cluster/rosetta/bin/mpi/../database/scoring/weights/ref2015.wts exist

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ERROR: Your compiler does not have full support for C++11 regex, and therefore can't support RegEx_based_CDR_Detector/antibody g

Category: 
Structure prediction

Hi there,

I tried to do antibody modeling, however, there is complie issue shown as the following:

$ROSETTA/bin/antibody.linuxgccrelease -fasta 27666.fasta | tee grafting.log

Post Situation: 

Temperature

Category: 
Structure prediction

Hi,

I was wondering if it is posible to measure the free energy or stability of one protein in diferent temperature environments. Would this be done by changing the temperature of the energy minimization? And if so, how do I do it? I haven't found a specific flag for this purpose.

Thanks.

Post Situation: 

Urgent issue: Error with submitting a new Rosetta-Vienna RNP-ddG job

Category: 
ROSIE

"Submitting Rosetta-Vienna RNP-ddG job failed!

Validation failed as:

  • seq_file: Incorrect seq_file format. Each line should have the format:
    sequence RNAfold_energy

    For example:
    gggggggaucaccccccc -4.5

 

Please correct this errors and re-submit!"

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