# HG changeset patch # User bgruening # Date 1368307870 14400 # Node ID 4b5cb43281467925553a5f100df59a303f467771 # Parent 18617b9fc70ee4a50ef4a36b403fe7132a74fdb6 Uploaded diff -r 18617b9fc70e -r 4b5cb4328146 tool_dependencies.xml --- a/tool_dependencies.xml Sat May 11 17:12:34 2013 -0400 +++ b/tool_dependencies.xml Sat May 11 17:31:10 2013 -0400 @@ -8,23 +8,7 @@ - - - - http://chem-fingerprints.googlecode.com/files/chemfp-1.1p1.tar.gz - $INSTALL_DIR/lib/python - export PYTHONPATH=$PYTHONPATH:$INSTALL_DIR/lib/python && python setup.py install --home $INSTALL_DIR --install-scripts $INSTALL_DIR/bin - - $INSTALL_DIR/lib/python - $INSTALL_DIR/bin - - - - - The core chemfp functionality does not depend on a third-party library but you will need a chemistry toolkit in order to generate new fingerprints - from structure files. chemfp supports the free Open Babel and RDKit toolkits and the proprietary OEChem toolkit. - Currently the Galaxy-wrappers are using openbabel as underlying toolkit. - Compiling chemfp requires gcc and a python2.5+ version. +