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Author Topic: Calculate step parameters given two planes  (Read 3744 times)

Offline ghzheng

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Calculate step parameters given two planes
« on: September 21, 2007, 03:39:04 pm »
Hi,

Is there any function of X3DNA that can provide the 6 step parameters between two planes whose origins and orientations are given? For example, we can have a file including such information:

plane #   OX   OY   OZ    Xx   Xy  Xz  Yx  Yy  Yz  Zx  Zy  Zz
plane 1    *      *     *     *     *    *     *    *   *    *    *   *
plane 2    *     *      *     *     *    *     *    *   *    *    *   *

then, 3DNA can tell the step parameters.


Or shall we write own codes to do this, by following the technical algorithms in the 3DNA mannual?

Thanks.

Offline xiangjun

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« Reply #1 on: September 22, 2007, 09:10:41 pm »
Of course, such a function is implemented in the 3DNA source code. However, please see FAQ #3.

There is no such a stand-alone program distributed with 3DNA. As you guessed, your best bet is to refer to the 3DNA user's manual for a detailed step-by-step example on how this is done in 3DNA. Following the procedure, it then should be a straightforward process to implement the algorithm in your favorite programming language.

HTH,

Xiang-Jun
Dr. Xiang-Jun Lu [律祥俊]
Email: xiangjun@x3dna.org
Homepage: http://x3dna.org/
Forum: http://forum.x3dna.org/

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Created and maintained by Dr. Xiang-Jun Lu [律祥俊] (xiangjun@x3dna.org)
The Bussemaker Laboratory at the Department of Biological Sciences, Columbia University.