set dihedral angle around a bond

User 870ab5b546

02-08-2006 05:06:18

There was no JChem or Marvin method to designate a particular dihedral angle in a compound, so I had to write such a program myself.

Previously, drawing ethane in its eclipsed conformation required drawing norbornane, adding H atoms, minimizing, then deleting everything but the bridgehead C atoms and a CH2CH2 group, then converting the dangling C atoms to H atoms. Ugh. Now you can start with staggered ethane (obtained by Clean in 3D) and then change the H-C-C-H dihedral angle to 0.