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# pyms | ||
The original source is a python package called pyms that was developed and published in 2012. | ||
See here: https://bmcbioinformatics.biomedcentral.com/articles/10.1186/1471-2105-13-115 | ||
Original Publication: | ||
https://bmcbioinformatics.biomedcentral.com/articles/10.1186/1471-2105-13-115 | ||
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The code was stored on google code, you can see the archive here: http://code.google.com/p/pyms/ | ||
PyMS was originally stored on googlecode, and moved to github when google code closed. The same group - Metabolomics Australia at the Bio21 Institute, University of Melbourne, manages the github repo. For any further information on the history of PyMS please email the maintainer: Sean O'Callaghan, [email protected]. | ||
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The upstream repository here on github from @ma-bio21 which I assume is related to the origin | ||
of the code (the bio 21 institute in Melbourne) seems more up to date than the code found in the archive, | ||
most notably the implementation of using mpi4py in ANDI file batches. There are other differences though, | ||
some bug fixes and added functionality. | ||
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A note: in the setup.py there is a requirement for the Pycluster library and it is used in the | ||
files found in the ./Peak/List/DPA directory, but installing the library from pip failed on my machine | ||
(Linux Mint 18 Sarah with python 2.7.12 installed). Another package, biopython, contains a treeclustering | ||
function that seems to be identical in terms of function, see e.g. the test package shown here: | ||
http://nullege.com/codes/search/Bio.Cluster.treecluster. | ||
I adapted the same approach where Pycluster was invoked since biopython installed without problem but | ||
can't test it since the data refenced in the manual is not available any more. | ||
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A diff of the two directories (from git and from google code) list the following files as different: | ||
- ./Deconvolution/BillerBiemann/Function.py | ||
- ./Display/Class.py | ||
- ./Display/Class.pyc | ||
- ./Experiment/IO.py | ||
- ./Gapfill/Class.py | ||
- ./Gapfill/Function.py | ||
- ./Gapfill/__init__.py | ||
- ./GCMS/Class.py | ||
- ./GCMS/IO/ANDI/Function.py | ||
- ./GCMS/IO/MZML/Function.py | ||
- ./GCMS/IO/MZML/__init__.py | ||
- ./Peak/Class.py | ||
- ./Peak/List/DPA/Class_old.py | ||
- ./Peak/List/DPA/Class.py | ||
- ./Peak/List/DPA/Function_new.py | ||
- ./Peak/List/DPA/Function.py | ||
- ./Utils/DP.py | ||
The main PyMS documentation is available here: https://github.com/ma-bio21/pyms-docs | ||
Test code available here: https://github.com/ma-bio21/pyms-test |