Hey,
I would like to represent superpositions of an external tool in jsmol.
The rotation/tranlation matrix (4x4 matrix) of the external tool looks
like:
m_ext=[
[0.80521651, 0.204535829, -0.5565891350000001,
42.002786661]
[-0.21990044800000003,-0.76870466, -0.6006138010000001,
47.417337482]
[-0.550699704, 0.6060183490000001, -0.573996163,
27.924563443]
[0, 0, 0, 1]
]
However, the superposition fails - the translation seems to be wrong:
model 1.1 - superposed chain A of the mobile structure,
chain B the target structure
model 2.1 - the original coordinates of the mobile structure
select 2.1
rotateSelected @m_ext
So, I loaded the superposed structure and compared it to the original
coordinates
m = compare( {*A.CA:2.1}, {*A.CA:1.1})
m=[
[0.8034722620457098, 0.20782335713182248, -0.5578904698537244,
28.646307053941896]
[-0.21910626765164903,-0.7680943038972581, -0.6016839567383779,
31.022614107883825]
[-0.5535564719149386, 0.6056736683652718, -0.5716070677047655,
-9.882908713692924]
[0, 0, 0, 1]
]
So, it looks like the rotation matrix (3x3 matrix) looks fine. Just the
translation is wrong...
Any idea what I missed?
Best
Steffen
P.S. The example I used was the superposition of 1thf (target) with 1qo2A
(mobile) using tmalign
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