           SPELL=ipc
         VERSION=1.4
          SOURCE=$SPELL-$VERSION.tar.gz
SOURCE_DIRECTORY=$BUILD_DIRECTORY/$SPELL-$VERSION
   SOURCE_URL[0]=http://downloads.sourceforge.net/sourceforge/isotopatcalc/$SOURCE
     SOURCE_HASH=sha512:98a5d04cdb87a32d36adeefaafd3e194b3d2df25ff6908cb5ac1dc94a543a3d778be63b7b401f36a9ac4a8f800b357a23c53a2253d055f35b9419af762d8570f
    SOURCE_HASH=sha512:98a5d04cdb87a32d36adeefaafd3e194b3d2df25ff6908cb5ac1dc94a543a3d778be63b7b401f36a9ac4a8f800b357a23c53a2253d055f35b9419af762d8570f
        WEB_SITE=http://isotopatcalc.sourceforge.net/
      LICENSE[0]=GPL
         ENTERED=20050124
        KEYWORDS="chemical science"
           SHORT=" IPC is a program that calculates the isotopic distribution of a given chemical formula"
cat << EOF
IPC is a program that calculates the isotopic distribution of a given chemical
formula. It gives the rel. intensities and the propability of the masses
belonging to a molecule ion, fragment or whatever is represented by the given
chemical formula. Furthernmore it can use GNUPlot to visualize the result. Only
masses with a rel. Intensity bigger then 0.009% are shown. Additionally ipc
prints the overall number of peaks and the needed computation time.

The program uses an algorithm which computes the exact isotopic
distribution. This leads to a large number of peaks which have very low
rel. abundances. Even for a small molecule as Acetylsalicylic acid ( C9H8O4,
Mr=180.15) there are 1350 peaks but only nine of them have a rel. abundance
higher then 0.01%.
EOF
