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test/run.py errors

When I input test/run.py on /resetta_source in rhel5.6 or 6,I all got the follow erros,
[root@localhost rosetta_source]# test/run.py -database /rosetta/rosetta_database
Identifying platform...

Platform found: debug/linux/2.6/64/x86/gcc/
Paths: cd build/test/debug/linux/2.6/64/x86/gcc/ && command line: ./protocols.test --database atabase
bash: ./protocols.test: No such file or directory
Paths: cd build/test/debug/linux/2.6/64/x86/gcc/ && command line: ./core.test --database atabase
bash: ./core.test: No such file or directory

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Using Rosetta Docking for nucleic acids

Hi,

I tried to use RosettaDock with protein-nucleic acid chains. But I have a problem. Rosetta doesn't seem to recognise nucleic acids with the parameters I used. Here is the error message:


ERROR: unrecognized aa U
ERROR:: Exit from: src/core/io/pdb/file_data.cc line: 534

The version of RosettaDock I compiled (3.2.1) worked with the protein-protein complexes I tried.

I suppose there is a command to specify nucleic acids or a specific database to use. Can anybody please tell me how to use RosettaDock for protein-nucleic acid chains?

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Will Rosetta Flexpepdock be adequate for this for now.?

Okie, if let's say I have the native structure of a protein-peptide complex, but I wish to only change 1 or 2 residues of the peptide, do you think it might still give me a relatively accurate result.? since I presume that there shouldn't be major changes to the secondary structure of the peptide.

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How to set the cyana format of distance restraint in rosetta?

Show I put the upper/lower restraints in one file, for instance:

# Upper distance limit
29 VAL HA 29 VAL HB 5.94
29 VAL HA 29 VAL QG2 5.51
17 ILE QD1 17 ILE HB 5.61

# Lower distance limit
29 VAL HA 29 VAL HB 3.961
29 VAL HA 29 VAL QG2 3.673
17 ILE QD1 17 ILE HB 3.743

or put them separately in two files, one for upper limit and the other one for lower limit?

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Can Rosetta Antibody build a good model for a new sequence??

I'm using the standalong version of Rosetta Antibody. I can rebuild the antibodys which are already in PDB, however, for my own sequences, I can not build them for some reasons. I checked the results of the CDR Graft procedure. I found the "FR02.pdb" was distorted. Apparently, the some atoms of H-CDR3 residues were far away from the framework. Besides, I got a "VERY LOW CONFIDENCE PREDICTION" warning on the H3 loop.

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flexpep docking, select the decoy to do the further docking, questions

Dear all:
I performed the flexpep docking by first prepack the interface. Then I conduct the docking with command:
flexpep -database rosetta_database/ -s prepacked.pdb -native prepacked.pdb -out:file:silent decoys.silent -out:file:silent_struct_type binary
-rbMCM -torsionsMCM -ex1 -ex2aro -use_input_sc -nstruct 100 -lowres_preoptimize
after that, I sorted the score value and select the top 5 decoys. (Is this the common way to select the decoys?)
But How can I further dock the decoys to refine the conformations? ( Do we usually refine the initial docking conformations?)

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Troubles using RigidBodyTransMover and RigidBodyPerturbMover

Goodmorning,

I'm currently experiencing some troubles while using the RigidBodyMovers and I hope someone could explain me this strange problem. I perform a rigid body move and calculates its energy. But the result is different if I evaluate the energy after having stored the pose in a .pdb. Here is the code.


// Creating the poses and the scoring function
core::pose::PoseOP pose = new core::pose::Pose();
core::scoring::ScoreFunctionOP score_fxn = core::scoring::ScoreFunctionFactory::create_score_function("standard");

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Destination of score.fsc file

Hi,

I am running Abinitiorelax for protein structure prediction through submission script
. I find that every time I run it, the score file gets made by the name "score.fsc" in the home directory only.
How can I specify a name for this file and its output destination.

Thanks,

Anirban

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