In MarvinSketch, it is possible to merge two already drawn molecules in a few steps. To merge two already drawn molecules, follow the steps below.
As the merging points in both the template and the substituent molecules (1, 2, or 3 pairs of them) are assigned, the template coordinates do not change, only the substituent is resized, rotated (in three dimensions) and moved to fit the template.
In the case of assigning 1 or 2 atom pairs, the substituent is selected after the merge and the Rotate mode is active, and you can rotate the substituent around an axis.
|Atom pairs||Assigned atoms||Selected for rotation||Merge product|
|1 atom pair|
|2 atom pairs|
|3 atom pairs||N/A|
The rotation axis is defined by the two connection points of the template and the substituent. Upon clicking on Merge the mouse gets in Rotation mode and the user can rotate the substituent till the desired position.
If any atom pairs fall in the merging range after the rotation, they will be merged. If this second merge happens only on one atom pair, the substituent remains selected and is subject to a second rotation action, where the rotation axis is defined by the original and the new connection points.