Re: [AMBER] Is there a method that can calculate the angle between two planes?

From: Daniel Roe <>
Date: Mon, 29 Jun 2020 11:31:40 -0400

Just to piggyback on what Dave suggested, you can calculate the vector
perpendicular to a plane defined by a set of atoms using 'vector
corrplane' - see the manual for full details.


On Sun, Jun 28, 2020 at 3:33 PM David A Case <> wrote:
> On Sun, Jun 28, 2020, wrote:
> >I want to calculate the angle between two planes. The two planes do not
> >share any atoms. Therefore, it is necessary to define two planes through
> >6 atoms. Is there a method in Ambertools that can do such calculations?
> The formulas you need are all given here (and in many other places, of
> course):
> See esp. section 2.8, for the angle between two planes.
> You can use various commands in cpptraj to do this, which might be useful
> if you need to compute this angle for many different sets of coordinates.
> See the vectormath capability in cpptraj: if you have two vectors in the
> first plane, the cross-product with give you the normal to that plane;
> ditto for second plane. Then the "dotangle" function will give you the
> angle you want (or 180 - the angle you want--you need to take care with
> how the cross products are computed if there are no atoms in common
> between the two planes.)
> ...good luck....dac
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Received on Mon Jun 29 2020 - 09:00:02 PDT
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