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update readme and add rank top n
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t-whalley authored Dec 23, 2019
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Expand Up @@ -5,6 +5,10 @@ GPU accelerated combinatorial peptide library peptide scanning
A zip file of the executables can be downloaded from the RELEASES under the ASSETS. The executable will run on any of the 3 platforms (Linux, Windows, MacOS). A sample of protein sequences (testdata.fasta) and combinatorial peptide library data
(CPL.txt) is included in the executable to test the codes.

## Implementation

There are 2 main types of executable. The first is a CPL database scan, this scores the CPL matrix against a supplied FASTA file of interest. It will return the top n results. This is found in the The second is ```score_database``` folder. The second is the ranking executables which score against the theoretical peptide universe. These are found in the ```rank``` folder. The ```rank_n``` executable ranks the top n results in the theoretical peptide universe.The ```serial/theoretical_rank``` exectuables rank a given peptide of interest.

## Usage

The CPL database scan can be ran as such:
Expand All @@ -15,6 +19,10 @@ and the peptide ranking:

```./theoretical_rank <cpl scan file> <peptide>```

or for the top n:

```./rank_n <cpl scan file> <number of results>```

The database scoring executables can be found in the folder "score_database" and the ranking executable in "rank".

To run the test data, enter the PICPL directory and run:
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