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Membrane

problem creating lips4 file using run_lips.pl

Category: 
Membrane

Hi,
I'm trying to generate the input files for membrane ab-initio. I already created the span file using OCTOPUS.
However, the run_lips.pl script keeps failing. It creates blast outputs (blast and blast.msa files) but the raw file is empty and the lips4 file contains only the header, and the lipo file is also without values.
I think there's some problem with the part running this script- "http://gila.bioengr.uic.edu/cgi-bin/lips/script.cgi".

Can anyone help me with that?

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Combine flags file with command line arguments?

Category: 
Compilation
Structure prediction
Docking
Design
Scoring
Enzyme Design
Loop Modeling
Constraints
Symmetry
Small Molecules
Chemically Modified Residues
Fragment Generation
Membrane
Non-Canonical Peptides
Nucleic Acids
Phenix / MR Rosetta

Is it possible to combine a flags file with command line arguments?

For example, something like this:

minimize_with_cst.linuxgccrelease -in:file:l min_pdb_file_list @flags_file

where flags_file contains additional options. Moreover, what is the effect of changing the order of command line arguments and flags files? Which takes precedence? That is, what is the difference between the above command and:

minimize_with_cst.linuxgccrelease @flags_file -in:file:l min_pdb_file_list

Thanks.

Post Situation: 

Rosetta membrane blastpgp/psiblast database problem for lips4 generation

Category: 
Membrane

I have run Rosetta membrane successful in the past, but it seems that now the blastpgp database necessary to run the run_lips.pl script is obsolete.
In the lastest BLAST release, blastpgp has been dropped entirely in favor of psiblast.
I am then blocked and I cannot generate the lips4 file using:
run_lips.pl <fasta file> <span file> <path to blastpgp> <path to nr database> <path to alignblast.pl script>

Is there a way of the run_lips.pl connecting the psiblast, or does it need to be modified?

Post Situation: 

ddg_monomer and membrane proteins

Category: 
Scoring
Membrane

Dear all,
I am a new Rosetta (3.5) user and I would like to study the effects of some point mutations on a monomeric transmembrane protein.

Can ddg_monomer properly predict the change in stability induced by point mutations in transmembrane proteins? If yes, should I specify a particular score function file using -ddg:minimization_scorefunction option? I would like to study mutations in both, the transmembrane (membrane-facing and not) and the extracellular region of the protein, should I treat them separately?

Post Situation: 

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