Assigning connectivity from 3D coordinates

From BlueObelisk

Connecting atoms from 3D coordinates

Algorithm

• JOELib
  • ConnectionHelper
• OpenBabel
  • Method ConnectTheDots (see method OBMol::ConnectTheDots, only)
• CDK
  • RebondTool

Open discussion

• A pseudocode comparison would be nice. JKW,2006-05-28,10:03