Stereochemistry and custom atom labels

[lpatiny]

Currently the atom custom labels can be encode in the idCode using the flat ENCODE_ATOM_CUSTOM_LABELS

Nevertheless as far as I know the atom custom labels is not considered to determine if it is a chiral center and therefore I encounter some limitations when I mark atoms using only atom custom labels.

Do you think it would make sense that custom labels are considered as different atoms and therefore we can create new chiral centers using custom labels ?

[thsa]

if the ENCODE_ATOM_CUSTOM_LABELS flag is set, then atom custom labels are used to distinguish atom ranks. Nonetheless, for some reason such a stereo center is not recognized as such. I will investigate...

…

-- The information of this email and in any file transmitted with it is strictly confidential and may be legally privileged. It is intended solely for the addressee. If you are not the intended recipient, any copying, distribution or any other use of this email is prohibited and may be unlawful. In such case, you should please notify the sender immediately and destroy this email. The content of this email is not legally binding unless confirmed by letter. Any views expressed in this message are those of the individual sender, except where the message states otherwise and the sender is authorized to state them to be the views of the sender's company.