proton addition to high atomic resolution crystal structure

Eric Pettersen pett at cgl.ucsf.edu
Sun Jan 25 19:38:37 EST 2004


In <Pine.GSO.4.44.0311191938020.23210-100000 at apache.cse.ucsc.edu> Oscar 
Hur wrote:
> 
> Hi
> 
> I have a batch of high resolution/atomic resolution X ray crystal
> structure PDB files.  I want to look at the proton position and 
> geometry on the proteins.  I heard that there are softwares that can 
> add protons computationally to the high resolution/atomic resolution 
> crystal structures.  Any recommendation?

There's REDUCE:  http://kinemage.biochem.duke.edu/software/reduce.php

	Eric Pettersen
	UCSF Computer Graphics Lab
	pett at cgl . ucsf . edu




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