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