Insert at end causes rubber bands to move
|Opened on:||Saturday, January 10, 2015 - 18:42|
|Last modified:||Saturday, January 10, 2015 - 18:42|
If you have bands on the sidechain of the end residue of the chain, and you add another residue, the band origins move to the next atom along in the now-next-to-last residue. This wreaks havoc with bands-to-space that guide the sidechain to match the ED cloud.
Shared with scientists a solution called "1035 for scientists band bug". There are currently bands on the last segment (66) originating at the beta carbon (the elbow of the sidechain) and the intersection of the Y of the sidechain. Insert one or more segments at end of chain. The band origins move to the intersection of the Y and one tip of the Y. I have observed this over and over with a variety of sidechains.
This probably happens because the sidechain carbons' atom numbers on the last residue are inflated by 1 because the backbone of the last residue has an extra atom. When it stops being the last residue, the atom numbers stored with the bands no longer point to the same carbons.
The workaround is to add residues at end before putting any bands on the last residue.