izzetbiophysicist / consensus_design

Scripts for consensus protein design using pyRosetta

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consensus_design

Scripts for consensus protein design using pyRosetta

Usage

Design scan will explore all identity thresholds and all consensus thresholds for a given alingment

python3.8 design_scan.py --pdb --design_undef --db --n_designs --csv_out

--pdb = PDB structure of the protein to be designed

--alignment = Alignment file in clustal format. The first sequence of the alignment should perfetly match the structure

--csv_out = output csv file

--n_designs = number of designs for each combination of identity and consensus thresholds

--design_undef = yes or no. If "yes", residues without consensus will be designed by rosetta design function, if False they will be kept as found in the reference structure

consensus_module.py contains all the individual functions for bespoke consensus design

get_consensus = generates a consensus sequence given an alignment, the structure and the consensus threshold

consensus_design = Given a structure and a consensus sequence, carries out the consensus design. Can be used with or without the design option. If design is set to True, all residues without consensus will be designed using Rosetta design

Dependencies

consensus_design runs clustal and blast locally

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Scripts for consensus protein design using pyRosetta


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