Re: [AMBER] cpptraj hist 3D

From: andrea spitaleri <>
Date: Thu, 06 Nov 2014 20:54:52 +0100

On 06/11/2014 20:36, Jason Swails wrote:
>> On Nov 6, 2014, at 9:38 AM, andrea spitaleri <> wrote:
>> In addition, you may try python with matplotlib/scipy:
> matplotlib does not make plotting 3-D scalar data (like histograms) easy -- in fact, I don’t think it is possible (it can do surface plots, but only of functions of 2 variables; it cannot do surface contours of 3-dimensional functions). numpy can certainly do the histogramming, but the OP is already doing that with cpptraj.

absolutely true. my first post was for analysis purpose. the best way to
visualize n-hist is either to generate dx file or as you say Mayavi2.


Andrea Spitaleri PhD
D3 - Drug Discovery & Development
Istituto Italiano di Tecnologia
Via Morego, 30 16163 Genova
cell: +39 3485188790
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Received on Thu Nov 06 2014 - 12:00:03 PST
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