Problems with hydrogens

Steffen Graether steffen at protein.biochem.queensu.ca
Sun Jan 24 07:26:26 EST 1999


In article <78e5h5$p20$1 at knot.queensu.ca> you wrote:
> I'm having some strange problems adding hydrogens to a pdb file. Using 
> the default tutorial script $XPLOR/tutorial/generate/generate.inp, I find 
> that hydrogens are only being added to N and O atoms, not to C. Does 
> anyone know what I'm doing wrong?

I should probably provide some clarification as to why I would care about 
non-H-bonding hydrogens. I want to take a theoretical pdb file with no 
hydrogens and see how well it fits to NMR NOE restraints. Obviously I 
need all hydrogens.

Steffen

-- 
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*Steffen Graether	            steffen at crystal.biochem.queensu.ca 	*
*Dept. of Biochemistry							*
*Queen's University, Kingston, Ontario, Canada				*
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