# HG changeset patch # User iracooke # Date 1431920029 14400 # Node ID e6a02a387448043bb5f3e03802b0775d0d4cd597 # Parent de34893b3834df134cbe1b6f77bf4dc9dbdcecff planemo upload commit 4f23896d1a519a87f189c6238a95b8f5b5933e9a-dirty diff -r de34893b3834 -r e6a02a387448 README.rst --- a/README.rst Sun Mar 29 19:24:40 2015 -0400 +++ b/README.rst Sun May 17 23:33:49 2015 -0400 @@ -35,7 +35,8 @@ IdXML idxml False OpenMS_ TandemXML_ tandem False XTandem output RAW raw False Raw Mass Spec Data -Msp msp False Spectral Library +Msp_ msp True Spectral Library +SPLib splib True Spectral Library Ms2 ms2 False MS/MS Spectra XHunterAslFormat hlf False Spectral Library ================ ===================== ======= ==================================== @@ -53,6 +54,8 @@ .. _MzIdentML: http://www.psidev.info/mzidentml .. _TraML: http://www.psidev.info/traml .. _TandemXML: http://www.thegpm.org/docs/X_series_output_form.pdf +.. _Msp: http://chemdata.nist.gov/mass-spc/ftp/mass-spc/PepLib.pdf +.. _SPLib: http://tools.proteomecenter.org/wiki/index.php?title=Software:SpectraST#Developer.27s_Guide Visualization ------------- diff -r de34893b3834 -r e6a02a387448 datatypes_conf.xml --- a/datatypes_conf.xml Sun Mar 29 19:24:40 2015 -0400 +++ b/datatypes_conf.xml Sun May 17 23:33:49 2015 -0400 @@ -46,6 +46,7 @@ + @@ -57,5 +58,7 @@ + + diff -r de34893b3834 -r e6a02a387448 proteomics.py --- a/proteomics.py Sun Mar 29 19:24:40 2015 -0400 +++ b/proteomics.py Sun May 17 23:33:49 2015 -0400 @@ -285,6 +285,21 @@ with open(filename, 'r') as contents: return Msp.next_line_starts_with(contents, "Name:") and Msp.next_line_starts_with(contents, "MW:") + +class SPLib( Msp ): + """SpectraST Spectral Library. Closely related to msp format""" + file_ext = "splib" + + def set_peek( self, dataset, is_multi_byte=False ): + """Set the peek and blurb text""" + if not dataset.dataset.purged: + dataset.peek = data.get_file_peek( dataset.file_name, is_multi_byte=is_multi_byte ) + dataset.blurb = 'splib Spectral Library Format' + else: + dataset.peek = 'file does not exist' + dataset.blurb = 'file purged from disk' + + class Ms2(Text): file_ext = "ms2"