Format Conversion

tools with explanations, including notes about pathologies.

openbabel convert.py

Pc2unix convsyb - convert mol2 to various pdb formats (DOCK3.5?) mol2sdf - convert mol2 to sdf format (superceded by filter?) mol2smi syb2smi sph2pdb pdb2sph - convert ligand atoms to spheres (DOCK3.5! mods?)

  cansmi - Daylight tool to make cannonical smiles
  mol2smi - Daylight tool to convert sdf to smi 
  syb2smi - Daylight tool to convert mol2 to smi