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Beta-Hairpin Design

Hi,

I have performed a wet-lab study about designing beta-turns with two different sequences and found that both sequences provide a huge difference in the folding rate. Is it possible to model the same with Rosetta, I mean folding is not possible but based on energy can this be studied ??

Simultaneous design and folding of a hairpin is possible with Rosetta or not ??

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BHARAT

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Positive scores with SymmDock in helical symmetry

Keywords:
SymmDock
Helical Symmetry

Hi, again.
Now I am trying to rebuild an actin filament(PDB ID: 3g37) with helical symmetry by using the symmdock protocol, in order to test and get familiar with the protocol.
Before using Symmdock, I relaxed the subunit with sidechain constraint and got ~-300 REU, which seemed a little high and might be caused by the low-resolution of 3g37, because there are 375 residues per subunit.
Then I used the SymmDock to rebuild the filament model, with sdf generated by make_symmdef_file.pl.

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llmv-g++4.2 for mac os 10.8.5 to compile Rosetta3.5

Hello all,
I try to build reosetta on a mac os 10.8.5 to use Erraser within Phenix 1.8.4-1496.
When I type
benoit1$ python external/scons-local/scons.py -j2 bin mode=release
Verbose gives
scons: Reading SConscript files ...
Running versioning script ... Done. (0.0 seconds)
scons: done reading SConscript files.
scons: Building targets ...

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Using OStream objects in PyRosetta

Dear users/developers,
I'm trying to find out how to use OStream() objects in PyRosetta. This is necessary for certain functions, e.g. ConstraintSet().show_violations() must take an OStream() object.
I saw that you cannot use rosetta.utility.OStream() directly, what is the recommended way then to get an OStream to e.g. sys.stdout or stderr?
Or is it possible to use show_violations() without OStream?
Thanks!

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RNA structure prediction

I newly start Rosetta for rna structure prediction. I know that rna_denovo is not suitable for large RNAs. but i tried an approximate 150nt RNA fasta which resulted in structures without any watson crick base pairs! Then I tried the same fasta with a homolog pdb with below command which led to an error after half an hour with one cpu.

./bin/rna_denovo.default.linuxgccrelease -fasta lysine.fasta -native lysine_RNA.pdb -nstruct 2 -out::file::silent lysine2.out -cycles 1000 -minimize_rna -database /opt/rosetta/rosetta_database

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ab initio modeling using constraints

I am working on ab initio folding of a dimeric molecule using distance constraints.
The constraints format being used is similar to NMR derived NOE constraints.
But, data is not derived from NMR.
I was wondering if that is the correct way to impose constraints on any general
system.

Flagfile:
~/rosetta. -seed_offset `echo $RANDOM` -cst ~/test.cst -cst_min -nstruct 10000
-paths ~/paths.txt -output_pdb_gz -timer -fa_output -output_silent_gz
-read_all_chains -randomize1 -symm_type cn -pose_fold_and_dock
-docking_pose_symmetry -pose1 -slide_contact_frequency 0.01

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Rigid Body & Flexible Minimization

Hello,

Recently I developed rigid body minimization algorithm and then extend it to also consider torsional flexibility. Here is the list of the papers:

Rigid Body Energy Minimization on Manifolds for Molecular Docking
http://pubs.acs.org/doi/abs/10.1021/ct300272j

A new Approach to Rigid Body Minimization with Application to Molecular Docking
http://ieeexplore.ieee.org/stamp/stamp.jsp?tp=&arnumber=6426267

Flexible Refinement of Protein-Ligand Docking on Manifolds
http://www.nt.ntnu.no/users/skoge/prost/proceedings/cdc-2013/media/files...

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Rosetta 3.5 Compiling Error - fedora 20

Hi All,

I have been trying to install rosetta on fedora 20 and keep running into a compiling error with EndPoint that terminates the build. Any suggestions would be much appreciated.

localhost 102% uname -a
Linux localhost.localdomain 3.11.10-301.fc20.x86_64

The error I got after command "scons bin mode=release" and successfully building for 30min or so:

scons: Reading SConscript files ...
svn_version.py reports this is a non-version-control release version of Rosetta
scons: done reading SConscript files.
scons: Building targets ...

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