# HG changeset patch
# User bernhardlutz
# Date 1386270985 18000
# Node ID 990bc67ae1140b9ad168e7702cf937b67383933f
Uploaded
diff -r 000000000000 -r 990bc67ae114 repository_dependencies.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/repository_dependencies.xml Thu Dec 05 14:16:25 2013 -0500
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diff -r 000000000000 -r 990bc67ae114 spectral_hk.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/spectral_hk.xml Thu Dec 05 14:16:25 2013 -0500
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+ Convert InChis to spectral hashcodes
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+ spectral_hk
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+ spectral_hk $input > $output 2>/dev/null
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+**What it does**
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+Spectral_hk converts InChis into spectral hash codes. A spectral hash code is a 30-character (150-bit) alphanumeric hash string that uniquely encodes an InChI. See the following example:
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+.. image:: $PATH_TO_IMAGES/bild.png
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+DMLC7QBAS17P7JKN43WHM2J1VA67GL
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diff -r 000000000000 -r 990bc67ae114 static/images/bild.png
Binary file static/images/bild.png has changed
diff -r 000000000000 -r 990bc67ae114 tool_dependencies.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/tool_dependencies.xml Thu Dec 05 14:16:25 2013 -0500
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+ git clone https://bitbucket.org/ncgc/spectral_hk.git
+ git reset --hard 4c2d2f36708798bbe49a4633df246fa065e2268a
+ make
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+ $INSTALL_DIR/bin
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+ $INSTALL_DIR/bin
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+ Compiling spectral_hk requires a C compiler (typically gcc)
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