[Chimera-users] Hbond in CLI + cacheDA

Eric Pettersen pett at cgl.ucsf.edu
Thu Jul 28 14:01:53 PDT 2011


On Jul 28, 2011, at 11:24 AM, Maciek Wójcikowski wrote:

> Is it possible to get the number of donors and acceptors somehow? Or  
> should I add this to the source code? It can be achieved easily  
> since it counts them, but doesn't print such number.

The fastest way for you to get this is for you to add print statements  
at the end of the _findAcceptors and _findDonors routines in  
FindHBond.base.  I'll put adding a nice interface for this on my to-do  
list.

--Eric

                         Eric Pettersen
                         UCSF Computer Graphics Lab
                         http://www.cgl.ucsf.edu


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