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.