> Why is it that every time hydrogens added with different co-ordinates? > That is not good for developing, especially for debugging. > > Is there any way that we can add hydrogens in a consistent way? > Am i doing something wrong..?
The only time a random vector is created is for atom types where no clear connection can be determined (e.g., a lone oxygen atom -> water). Otherwise, bonding is used to determine the new bond vectors. If you have a suggestion for improvement, I'm all ears. -Geoff ------------------------------------------------------------------------------ Precog is a next-generation analytics platform capable of advanced analytics on semi-structured data. The platform includes APIs for building apps and a phenomenal toolset for data science. Developers can use our toolset for easy data analysis & visualization. Get a free account! http://www2.precog.com/precogplatform/slashdotnewsletter _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
