           SPELL=xdrawchem
         VERSION=1.9.8
          SOURCE=$SPELL-$VERSION.tar.gz
SOURCE_DIRECTORY=$BUILD_DIRECTORY/$SPELL-$VERSION
   SOURCE_URL[0]=${SOURCEFORGE_URL}/${SPELL}/${SOURCE}
     SOURCE_HASH=sha512:94fc99ef20fd60c625a53b7780ef32b8651093d2881ed72d7681f63d7ee6a9fd59a84fd2c13edc93614e212f25cc5751256b5ef651f4023d5b1091ec9435789b
        WEB_SITE=http://xdrawchem.sourceforge.net/
         ENTERED=20020528
         UPDATED=20031114
      LICENSE[0]=GPL
        KEYWORDS="chemical science"
           SHORT="Draw chemical structures or retrieve from the Internet"
cat << EOF
XDrawChem is a program for drawing chemical structures. Features include fixed length and fixed angle drawing, a ring tool to automatically draw rings, automatic alignment of structures in reactions, and structure diagram generation. It can access structures in the NCI database by name, CAS number, or formula. It can predict 13C NMR and simple IR spectra. MDL Molfile, CML (Chemical Markup Language), ChemDraw binary and text file formats, and SMILES strings are supported.

Features:
	# 100% compatible Windows 95/98/NT version
	# Fixed length, fixed angle drawing.
	# Automatic alignment of figures. Detects structures, text, and arrows and places them automatically.
	# Can automatically draw rings and other structures - has all standard amino acids and nucleic acids in built-in library.
	# Can retrieve structures from a network database based on CAS number, formula, or name.
	# Can draw symbols such as partial charge, radicals, etc.
	# Can read MDL Molfiles, CML [Chemical Markup Language, defined in J. Chem. Inf. Comput. Sci.39(1999), 928-942], ChemDraw(TM) binary format, ChemDraw(TM) XML text format.
	# Can write MDL Molfiles, CML, ChemDraw(TM) XML text format.
	# Can export pictures in PNG, Windows bitmap (*.bmp), Encapsulated PostScript (EPS), and Scalable Vector Graphics (SVG).
	# Can interpret most SMILES strings.
	# Online help, including tool tips.
	# 13C NMR prediction, based on Bremser W, Mag. Res. Chem.23(4):271-275
	# Simple IR prediction.
	# Reaction analysis: gas-phase enthalpy change estimate, 13C NMR comparison.
EOF
