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Re: Calc distance between atoms in pdb file

by brx (Pilgrim)
on Apr 29, 2012 at 18:53 UTC ( #967964=note: print w/ replies, xml ) Need Help??


in reply to Calc distance between atoms in pdb file

Post some real input data: answers will be better, with a better regex/method.

Reading each line, you can calculate distance with all previous points - no need to make a double loop after reading all the file.


Update: strike first part (sorry OP)


Comment on Re: Calc distance between atoms in pdb file
Re^2: Calc distance between atoms in pdb file
by BrowserUk (Pope) on Apr 29, 2012 at 19:17 UTC
    Post some real input data: answers will be better,

    I found the real input data via the OPs reference.

    With the rise and rise of 'Social' network sites: 'Computers are making people easier to use everyday'
    Examine what is said, not who speaks -- Silence betokens consent -- Love the truth but pardon error.
    "Science is about questioning the status quo. Questioning authority".
    In the absence of evidence, opinion is indistinguishable from prejudice.

    The start of some sanity?
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