Generate inter-proton distance restraints from an X-ray structure
 

Generate inter-proton distance restraints from an X-ray structure

Hello,

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.

Winston



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