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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.
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Of course, such a function is implemented in the 3DNA source code. However, please see FAQ #3 (http://http://rutchem.rutgers.edu/~xiangjun/3DNA/faq.html#code).
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 (http://http://rutchem.rutgers.edu/~xiangjun/3DNA/manual/x3dna.pdf) 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
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.