.. _`bio/hmmer/hmmscan`:

HMMSCAN
=======


.. image:: https://img.shields.io/github/issues-pr/snakemake/snakemake-wrappers/bio/hmmer/hmmscan?label=version%20update%20pull%20requests
   :target: https://github.com/snakemake/snakemake-wrappers/pulls?q=is%3Apr+is%3Aopen+label%3Abio/hmmer/hmmscan

search protein sequence(s) against a protein profile database


Example
-------

This wrapper can be used in the following way:

.. code-block:: python

    rule hmmscan_profile:
        input:
            fasta="test-protein.fa",
            profile="test-profile.hmm.h3f",
        output:
            # only one of these is required
            tblout="test-prot-tbl.txt", # save parseable table of per-sequence hits to file <f>
            domtblout="test-prot-domtbl.txt", # save parseable table of per-domain hits to file <f>
            pfamtblout="test-prot-pfamtbl.txt", # save table of hits and domains to file, in Pfam format <f>
            outfile="test-prot-out.txt", # Direct the main human-readable output to a file <f> instead of the default stdout.
        log:
            "logs/hmmscan.log"
        params:
            evalue_threshold=0.00001,
            # if bitscore threshold provided, hmmscan will use that instead
            #score_threshold=50,
            extra="",
        threads: 4
        wrapper:
            "v3.0.1/bio/hmmer/hmmscan"

Note that input, output and log file paths can be chosen freely.

When running with

.. code-block:: bash

    snakemake --use-conda

the software dependencies will be automatically deployed into an isolated environment before execution.


Software dependencies
---------------------

* ``hmmer=3.4``

Input/Output
------------
**Input:**

* protein sequence file (fasta)
* database hmm files

**Output:**

* matches to hmm files




Authors
-------

* N Tessa Pierce


Code
----

.. code-block:: python

    """Snakemake wrapper for hmmscan"""

    __author__ = "N. Tessa Pierce"
    __copyright__ = "Copyright 2019, N. Tessa Pierce"
    __email__ = "ntpierce@gmail.com"
    __license__ = "MIT"

    from os import path
    from snakemake.shell import shell

    profile = snakemake.input.get("profile")

    profile = profile.rsplit(".h3", 1)[0]
    assert profile.endswith(".hmm"), 'your profile file should end with ".hmm" '

    # Direct the main human-readable output to a file <f> instead of the default stdout.
    out_cmd = ""
    outfile = snakemake.output.get("outfile", "")
    if outfile:
        out_cmd += " -o {} ".format(outfile)

    # save parseable table of per-sequence hits to file <f>
    tblout = snakemake.output.get("tblout", "")
    if tblout:
        out_cmd += " --tblout {} ".format(tblout)

    # save parseable table of per-domain hits to file <f>
    domtblout = snakemake.output.get("domtblout", "")
    if domtblout:
        out_cmd += " --domtblout {} ".format(domtblout)

    # save table of hits and domains to file, in Pfam format <f>
    pfamtblout = snakemake.output.get("pfamtblout", "")
    if pfamtblout:
        out_cmd += " --pfamtblout {} ".format(pfamtblout)

    ## default params: enable evalue threshold. If bitscore thresh is provided, use that instead (both not allowed)
    # report models >= this score threshold in output
    evalue_threshold = snakemake.params.get("evalue_threshold", 0.00001)
    score_threshold = snakemake.params.get("score_threshold", "")

    if score_threshold:
        thresh_cmd = " -T {} ".format(float(score_threshold))
    else:
        thresh_cmd = " -E {} ".format(float(evalue_threshold))

    # all other params should be entered in "extra" param
    extra = snakemake.params.get("extra", "")

    log = snakemake.log_fmt_shell(stdout=False, stderr=True)

    shell(
        "hmmscan {out_cmd} {thresh_cmd} --cpu {snakemake.threads}"
        " {extra} {profile} {snakemake.input.fasta} {log}"
    )


.. |nl| raw:: html

   <br>