[gmx-users] Time averaged ramachandran plot
jalemkul at vt.edu
Mon Oct 27 01:21:23 CET 2014
On 10/26/14 5:14 PM, Sanku M wrote:
> Hi I plan to plot the ramachandran plot of all the dihedral angles each of which is averaged over time-frames of trajectories. But, I find g_rama or g_chi gives the time profile of ramachandran plot. But, if I want to plot the time-averaged Phi.Psi angles of all residues, is there any method to do it.ThanksSanku
It's a process than can easily be written in any scripting language you like.
You have all the data points, and you want an average. Just post-process the
output file with whatever kind of script (Perl, Python, etc) you like.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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