# HG changeset patch
# User pieter.lukasse@wur.nl
# Date 1421942119 -3600
# Node ID f6da901ffff8b91bcd9d57e2ea0e60d492dafc21
# Parent 964ec10d568ce1929de90358dc37f15320632a27
jinja solution
diff -r 964ec10d568c -r f6da901ffff8 README.rst
--- a/README.rst Thu Jan 22 16:15:30 2015 +0100
+++ b/README.rst Thu Jan 22 16:55:19 2015 +0100
@@ -63,7 +63,7 @@
License for third party NIST tool/library
-================================
+=========================================
NIST 08 MS Library (demo) and MS Search v2.0f:
diff -r 964ec10d568c -r f6da901ffff8 nist_wrapper.xml
--- a/nist_wrapper.xml Thu Jan 22 16:15:30 2015 +0100
+++ b/nist_wrapper.xml Thu Jan 22 16:55:19 2015 +0100
@@ -5,6 +5,11 @@
-> make sure this gets executed: export DISPLAY=:995;
-->
Runs NIST's msseach program to match spectra against metabolite libraries
+
+
+ nist_wrapper_venv
+
+
nist_wrapper.py
"~/.wine/drive_c/NIST"
diff -r 964ec10d568c -r f6da901ffff8 tool_dependencies.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/tool_dependencies.xml Thu Jan 22 16:55:19 2015 +0100
@@ -0,0 +1,19 @@
+
+
+
+
+
+
+
+
+ jinja2==2.7.3
+ six==1.7.2
+ argparse==1.2.1
+
+
+
+
+ A Python 2 virtual environment that includes the python packages jinja2, six, argparse.
+
+
+
\ No newline at end of file