# 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"