Mercurial > repos > marcel > caddsuite_mac10_6

diff CADDSuite-1.0.1/data/OpenBabel/genheaders.sh @ 5:e30a41af9d2b

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Uploaded
author marcel
date Tue, 15 Nov 2011 10:53:16 -0500
parents
children
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite-1.0.1/data/OpenBabel/genheaders.sh	Tue Nov 15 10:53:16 2011 -0500
@@ -0,0 +1,11 @@
+#!/bin/sh
+
+./bin2hex.pl aromatic.txt AromaticData >aromatic.h
+./bin2hex.pl atomtyp.txt AtomTypeData >atomtyp.h
+./bin2hex.pl bondtyp.txt BondTypeData >bondtyp.h
+./bin2hex.pl element.txt ElementData >element.h
+./bin2hex.pl isotope-small.txt IsotopeData ISOTOPE >isotope.h
+./bin2hex.pl phmodel.txt PhModelData PHMODELDATA >phmodeldata.h
+./bin2hex.pl resdata.txt ResidueData >resdata.h
+./bin2hex.pl torlib.txt TorsionDefaults >torlib.h
+./bin2hex.pl types.txt TypesData >types.h