Does anyone know of any program that can generate inter-proton distance restraints from an X-ray structure? I was able to use Molmol to generate dihedral angles. MolMol can also generate inter-atom distances, however, I could not figure out how to just generate 1H-1H distances. I have a total of 50,000 inter-atom distance (H-H, C-O, C-N...all types).
Any help is highly appreciated.
asked Apr 24 '11 at 10:48
You can still use molmol, but first you have to select only protons (SelectAtom '@H*'). Then you can calculate distances by CalcDist.
answered May 07 '13 at 05:33