User 870ab5b546
05-05-2009 22:27:18
Is there a way in the API to remove MolBond from a Molecule and then restore it so that the bond indices remain unchanged from the original? I need to remove a bond so that I can rotate one of the fragments 180 degrees with respect to the other, but when I restore the bond I want the indices to be unchanged from the original.
If there is not such a way, please add it to the request list.
User ef5e605ae6
06-05-2009 14:03:26
| bobgr wrote: |
Is there a way in the API to remove MolBond from a Molecule and then restore it so that the bond indices remain unchanged from the original? I need to remove a bond so that I can rotate one of the fragments 180 degrees with respect to the other, but when I restore the bond I want the indices to be unchanged from the original. If there is not such a way, please add it to the request list. |
Hi Bob,
Use removeBond, insertBond in the next 5.3 alpha or the corresponding deprecated functions ("Bond" --> "Edge") in the 5.2 branch.
Peter