ChemAxon 587f88acea
26-04-2005 14:43:45
This bug is both using the Java API and directly in Marvin View.
I take the attached file and load it up in MarvinView, and then do Add Explicit H atoms (which I assume calls hydrogenize as well).
It puts an H directly on top of one of the carbon atoms!
Then if I save this as-is, and re-load it, additionally the chiral center disappears (or rather becomes ambiguous). This can be effectively avoided by doing a 2D or 3D clean after adding hydrogens and BEFORE saving the file, OR by doing a 3D clean after saving and reloading it (then teh chiral center is restored).
However shouldnt I be able to add hydrogens without needing to do a clean? Hope you can clarify, thanks!
I take the attached file and load it up in MarvinView, and then do Add Explicit H atoms (which I assume calls hydrogenize as well).
It puts an H directly on top of one of the carbon atoms!
Then if I save this as-is, and re-load it, additionally the chiral center disappears (or rather becomes ambiguous). This can be effectively avoided by doing a 2D or 3D clean after adding hydrogens and BEFORE saving the file, OR by doing a 3D clean after saving and reloading it (then teh chiral center is restored).
However shouldnt I be able to add hydrogens without needing to do a clean? Hope you can clarify, thanks!