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multiple cst files

Is there a way to use multiple cst files in a structure calculation? Like this ?

-constraints:cst_file input/file1.cst
-constraints:cst_file input/file2.cst

-constraints:cst_fa_file input/file3_fa.cst
-constraints:cst_fa_file input/file4_fa.cst

Or do file1/file2 and file3/file4 have to be concatenated into one file ?

thank you !
logan

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Reproducing the exact result using information from previos run

Hi Guys,
I am currently trying to run few jobs using different set of parameters and I want to study the effect of those parameters on the results. How can I run a job using information of the previous run's log file so that effect are only due to new parameters, not due to random simulation, as the no of decoys generated is very small and I feel though not very critical for the process, but for comparison purpose it's important to the trajectories in the exact way as done in previous run.
Please help me to solve this issue.

Thanks.

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Which score4?

Hello everybody.

I read that the final step in the low-resolution part of a rosetta classic ab-initio protein fold prediction protol should be rescoring the obteined structures with the score4 in order to discriminate the native-like structures.

Looking for this score4 I could find the following score4-like scores (both in the pyrosetta package and rosetta3.4 package): "score4L", score4_smooth", score4_smooth_cart".
In all papers I've read I could not find any references to any of them but only to "score4". Does anybody know which this "score4" is?

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CS-HM-Rosetta

Hello,

i would like to use the CS-HM-Rosetta for homology modelling with chemical shift data. It is stated in the supporting information (http://www.pnas.org/lookup/suppl/doi:10.1073/pnas.1202485109/-/DCSupplem...) that cm_scripts/rosetta_cm.conf needs to be edited before the execution of "cm_scripts/bin/predict_distances.pl sequence.fasta sequence.aln –aln_format grishin –outfile sequence.dist_csts" in order to generate the homology constraints.

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ab initio folding part of a protein

is it possible to run ab initio folding for part of a protein while fix the rest part? Say, I want to fix two fragments to be beta strands and the rest are free to fold around the strands. Is loop modelling the way to go? The un-fixed part are not necessarily loops.

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Compiling and running in different linux machines

Hi,
I'm trying to compile Rosetta in my local machine and then run it in a different one (I am using the extras=static flag). It compiles fine, however when I try to run it in the other machine (cluster) it gives me the error:

FATAL: kernel too old

Post Situation: 

Score2 and Score5...aren't hey meant to be different?

Hello everybody

doing
score_fxn5=create_score_function( 'score5' )
score_fxn2=create_score_function( 'score2' )

and printing them I obtain the same output, I thought they were meant to be different.

print score_fxn?
ScoreFunction::show():
weights: (vdw 1) (cenpack 0.5) (pair 1) (env 1) (cbeta 0.25) (hs_pair 1) (ss_pair 1) (sheet 1)
energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT
EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12
EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid

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Results of enzyme_design not consistent with Resfile

Hi all, I am running the enzyme_design application with one input Resfile and no cstfile. I know for the fact that the Resfie is being read based on the output, part of which is shown here: **** protocols.enzdes.EnzdesTaskOperations: Reading resfile input from: mutations.resfile protocols.enzdes.EnzdesTaskOperations: Design Interface: detected 0 design-shell residues and 68 repack-shell residues, shell sizes cut1-4 used were 0 0 10 12 **** The relevant part of options file (the indentation is correct in the original file): **** -resfile mutations.resfile -enzdes
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