David Koes has contributed a pull request that fixes a bunch of file handling
errors via round-trip testing.
One thing he's implemented is to bring back writing PDB files with multiple
bond orders via repeated CONECT records.
Before I consider the rest of the patch, I want to know opinions on t
I like the idea of multiple CONECT with bond orders.
I second David van der Spoel's analysis: if we don't know about any major
programs that would fail/crash, with multiple CONECT per bond, then we should
go for it.
Even if that's the case, though, it could be easily addressed by having a flag