[AMBER] PTRAJ Hbond analysis

From: George Tzotzos <gtzotzos.me.com>
Date: Mon, 20 Sep 2010 11:56:18 +0200

Hi everybody,

I'd appreciate if anyone could suggest a way (if any available) to convert an output of the type shown below graphically.

Thanks and regards

George


  Dumping schematic of time series after each h-bond, key follows:
   | . - o x * . |
      0-5% 5-20% 20-40% 40-60% 60-80% 80-95% 95-100% occupancy

        DONOR ACCEPTORH ACCEPTOR
  atom# :res.atom atom# :res.atom atom# :res.atom %occupied distance angle lifetime maxocc
| 884 :56.OG | 2140 :138.HO1 2100 :138.O1 | 50.50 3.007 ( 0.21) 24.38 (12.28) 5.1 ( 6.2) 24 |o.-oxxx- .x...x.xxx. -x....x- |
| 1709 :111.OG1 | 2140 :138.HO1 2100 :138.O1 | 20.50 2.938 ( 0.21) 23.18 (11.49) 3.7 ( 4.6) 16 | .o. .- - .o.x..x|
 ---------------- --------------------------------- ------------------
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Received on Mon Sep 20 2010 - 03:00:05 PDT
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