I have some trouble with chirality flags and the indigo nodes.
In a SDF there are 3 locations to say that the molecule has chirality: in the count line (just to say the molecule is chiral), in the atom block (to say this atom is chiral with this chirality [1=odd, 2=even, 3=either]), and in the bond block (to say in 2D the bond is up or down).
With the following protocol: SDF reader -> MoltoIndigo -> IndigoToMol -> SDFwiter; when I read a SDF with a chiral molecule the chiral flag on the chiral atom (1, 2 or 3) is changed to 0.
Is it possible to conserve this flag inchanged?
thanks for all and for your work with Indigo,
Could you attach your molecule?
Thanks for your rapid response. Here one exemple of molecule:
chiral.sdf: the molecule has chiral flag;
notchiral.sdf: the same molecule without chiral flag.
Thanks for your help,
The next version of Indigo nodes will be saving chirality flag for atoms too. It will be released soon, after being tested.
Thank you for your suggestions!
Thanks for your help!
An updated Indigo nodes version from the nightly builds is saving this flag correctly. Thank you for your comment again!