[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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