==== Generate PDB and CIF restrain files for ligands of the LH series ====


  - Prepare the 2D chemical structure using Marvin Sketch (ChemAxon)
  - Add hydrogen atoms to the structure (Structure>Add>Explicit hydrogens)
  - Convert to 3D (Structure>Clean 3D>Clean in 3D)
  - Save as Tripos mol2 file (*.mol2)
  - Go to GRADE server [[http://grade.globalphasing.org/cgi-bin/grade/server.cgi]]
  - Choose the mol2 file import option
  - Indicate a 3 letter code and the complete ligand name
  - Indicate the net charge if necessary
  - Check the resulting 2D structure displayed and save PDB and CIF files