Re: [OpenBabel-Devel] r4456 introduces error in MDL writer

2011-05-26 Thread Chris Morley
Noel This was stupid mistake, now reverted. The valence field on the atom is still read for a rare edge case in metal atoms mentioned in the oldest open bug #1684359. Chris On 25/05/2011 22:19, Noel O'Boyle wrote: > Hi Chris, > > With r4456 there is an error in the MDL writer as follows: > > obab

[OpenBabel-Devel] r4456 introduces error in MDL writer

2011-05-25 Thread Noel O'Boyle
Hi Chris, With r4456 there is an error in the MDL writer as follows: obabel -:C[C@@](Br)(Cl)I -osdf --gen2d OpenBabel05251122182D 5 4 0 0 0 0 0 0 0 0999 V2000 0.86601.50000. C 0 0 0 0 0 0 0 0 0 0 0 0 0.1.0. C 0 0 1 0 0 15 0