On May 11, 2007, at 1:37 AM, Bob Hanson wrote:
> See if by any chance going the other way works -- from the verified
> coordinates to the original. If that's the case, then you need the
> inverse of this matrix.
>
>
yeah, I've been trying stuff like this, kinda haphazardly, without
luck. for example:
coords before transformation:
ATOM 1 N PRO 6 3.948 38.053 17.436 1.00
41.27 N
coord after transformation:
ATOM 1 N PRO B 6 52.942 50.009 89.414 1.00 41.27
the matrix:
0.58 0.805 0.125
0.521 -0.484 0.703
0.626 -0.342 -0.7
>
> Timothy Driscoll wrote:
>
>> On May 10, 2007, at 3:54 PM, Bob Hanson wrote:
>>
>>
>>> This is always a royal pain to get right. Certainly looks like a
>>> rotation matrix to me.
>>> It's got the right form. My guess is you put the vector on the
>>> right and
>>> multiply as:
>>>
>>> x' = m11*x + m12*y + m13*z
>>>
>>> across the top row of that matrix. Likewise for y' across the
>>> second.
>>>
>>>
>>>
>>
>> that does not appear to work, no, and that's what confuses me.
>> (MUSTANG also outputs a pdb file with the aligned coordinates, which
>> I use as verification.) I've been trying to read some literature on
>> transformation matrices but most of them are 4x4, not 3x3?
>>
>> anyway, I'll keep looking.
>>
>> tim
>>
>>
>>
>>
>>> Timothy Driscoll wrote:
>>>
>>>
>>>
>>>> hi,
>>>>
>>>> I have two structures that I have aligned using a program called
>>>> MUSTANG. the program gives me a 3x3 transformation matrix like
>>>> this
>>>> one:
>>>>
>>>> 0.58 0.805 0.125
>>>> 0.521 -0.484 0.703
>>>> 0.626 -0.342 -0.7
>>>>
>>>>
>>>> in order to superimpose my second structure onto the coordinate
>>>> system of the first, I am told that I should apply this matrix
>>>> to the
>>>> xyz coords of the second. I thought this could be done via a
>>>> simple
>>>> matrix multiplication, but apparently not.
>>>>
>>>> can anyone please suggest a reference that deals with this?
>>>>
>>>>
>>>>
>>>> thank you,
>>>>
>>>> tim
>>>>
>>>>
>>>>
>>>>
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tim
--
Timothy Driscoll em: [EMAIL PROTECTED]
Virginia Bioinformatics Institute ph: 540-231-3007
Bioinformatics I: M-1 im: molvisions
Washington St., Blacksburg, VA 24061
04-16-07. We will not forget you.
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