> I definitely remember reading discussion where Noel was mentioning a limit > (that at this point can't be 1k atoms) but I can't find it since Sourceforge > seems to be down for maintenance.
There is an explicit limit for InChI as defined by IUPAC. (I believe 1024 atoms.) There was at one point a limit in Open Babel for SMILES, but this was removed. I don't advocate huge SMILES because some programs don't like 10,000 character lines. :-) The only limit in modern versions of Open Babel is your patience, RAM, and atomic indices, which is an unsigned integer. At worst, that's 2^32 ~4.2 billion atoms. Maybe the question was in regards to 2D depiction? There might be a limit in that code - I haven't checked it thoroughly. -Geoff ------------------------------------------------------------------------------ Dive into the World of Parallel Programming. The Go Parallel Website, sponsored by Intel and developed in partnership with Slashdot Media, is your hub for all things parallel software development, from weekly thought leadership blogs to news, videos, case studies, tutorials and more. Take a look and join the conversation now. http://goparallel.sourceforge.net/ _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
