AMBER Archive (2003)

Subject: Re: Backbone torsional angles' format?

From: Bill Ross (photoriot_at_yahoo.com)
Date: Fri Feb 07 2003 - 22:01:26 CST

> what is the format? [of backbone torsional angles]
> I have specified 17 residues, I got 51 sets of
> number, is that the tortional angles:
> C-N-Ca-C, N-Ca-C-N, Ca-C-N-Ca for each residues?

The angles, along with summary values, should be
listed in the output (stdout unless you use -o
outfile).

Here's a sampling of what you should see. The "whole
chain" lists the atoms in the chain, the "statistics"
lists each bond (in this case only a single
measurement):

--Torsion/backbone T1:
 
        whole chain:
 
CRA 1:1 C1 CRA 1:4 O2 CRA 1:5 C3 CRB 2:8 C1
 CRB 2:11 O2
CRB 2:12 C3 CRC 3:15 C1 CRC 3:18 O2 CRC 3:19
C3 CRB 4:22 C1
CRB 4:25 O2 CRB 4:26 C3 CRC 5:29 C1 CRC 5:32
O2 CRC 5:33 C3
CRB 6:36 C1 CRB 6:39 O2 CRB 6:40 C3 <-1:1
 
        statistics:
 
1:1 CRA C1 - 1:4 CRA O2 = 1:5 CRA C3 - 2:8 CRB C1
single 171.381

Bill Ross