[Biopython] Reading large files, Biopython cookbook example
Fields, Christopher J
cjfields at illinois.edu
Tue Aug 6 18:59:09 UTC 2013
On Aug 6, 2013, at 1:49 PM, Andrew Dalke <dalke at dalkescientific.com>
wrote:
> >...
> For another historical side-note, the PDB format started in
> the early 1970s, but contains a kernel which is even older!
> Quoting from
>
> http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2143743/pdf/9232661.pdf :
>
> In order to establish the PDB, acceptance by the crystallographic
> community was necessary, requiring a pilgrimage in 1970 to the Medical
> Research Council (MRC) laboratory and Crystal Data Centre (CDC) in
> Cambridge. One result of this exchange was a concession that coordinates
> of protein structures would be stored in the same format as the small
> molecule CDC database (with a redundant ATOM label at the beginning of
> each card), retaining the now-arcane counting number at the end. But the
> idea of a PDB was accepted by Professors Pemtz, Blow, Kennard, Diamond,
> and colleagues in Cambridge.
>
> The "now-arcane" counting number has long disappeared from the
> spec. It was there, I believe, so that if the punch cards were
> dropped then they could be resorted based on the last few columns.
> (I imagine you could also write a program to strip out the
> C-alpha cards, work with them, then merge the C-alphas back into
> the card deck correctly.)
>
> Andrew
> dalke at dalkescientific.com
Now *that* is backwards-compatibility taken to an extreme.
chris
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