Re: [Open Babel] separate fragments

2011-12-09 Thread Dmitri S. Kilin
Thank you Geoff, but the problem is still there. provide copies of the commands, list of generated files, and an output file below. What I unfortunately see -- the output contains one molecule. The connectivity is established as needed, but fragments are not separated in different records. I want

Re: [Open Babel] separate fragments

2011-12-08 Thread Geoffrey Hutchison
> But babel reports "1 molecule", see below > Please advise, This is more of a wording question. "1 molecule converted" really means "I read in one molecular system 'record', where a record may contain more than one fragment." Obviously the latter is a little too long to print easily. :-) Hope