# 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