Hi Bing,
here's your PyMOL + PSICO solution:
ring_sele = '...' # selection expression of ring atoms
line_sele = '...' # selection expression of two atoms
import math
import chempy.cpv
import psico.orientation
ring_normal = psico.orientation.plane_orientation(ring_sele, guide=0)[1]
line_direction = psico.orientation.cafit_orientation(line_sele, guide=0)[1]
angle = chempy.cpv.get_angle(ring_normal, line_direction)
print 'angle: ', math.degrees(angle), 'degrees'
Hope that helps.
Cheers,
Thomas
On 13 Aug 2015, at 15:12, Wang, Bing <[log in to unmask]> wrote:
> Hi Heroes,
>
> Does anybody know how to measure the angle between a line (e.g. a line between two atoms) and a plane (e. g. a plane from aromatic ring) in PYMOL. I do know how to use PISCO to measure the angle between two planes. I am not sure whether I can still use PISCO in this case, or I do need another plugin, or some any other methods. Please show me the details.
>
> Thank you very much!
>
> Bing Wang
--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.
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