[Fwd: Re: Backbone torsional angles' format?]

From: Holger Gohlke <gohlke_at_scripps.edu>
Date: Fri 07 Feb 2003 16:23:15 -0800


this is not an elegant idea, but I don't know any better way by now. In
the function calcbackbone in meas.c in $AMBERHOME/src/carnal, remove the
lines starting with "#" at:

#ifdef DBG
                        if (!(i%4)) printf("\n");
                        printf("atoms %d-%d ", atomarray[i-3],

and recompile carnal. Run carnal for just one snapshot and you should
get a list of starting and end atoms of each torsion measured.

Best regards


Dr. Holger Gohlke
Dept. of Molecular Biology, TPC15
The Scripps Research Institute
10550 N. Torrey Pines Rd.
La Jolla CA 92037  USA
phone: +1-858-784-9788
fax:   +1-858-784-8896
email: gohlke_at_scripps.edu
Received on Fri Feb 07 2003 - 16:23:15 PST
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