> In other words, in a number of tools the force field is hardcoded which seems > unnecessary. Would this be worthwhile to fix?
Often, the tools directory has been thought of more as a set of examples - not so much as independent codes for people to use. (Many of these have "ops" from babel) Certainly, patches would be gratefully accepted. Usually the best command-line processing routines come from getopt() and family. -Geoff _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
