Re: [ccp4bb]: How to reverse a CA trace?

["Gerard \"DVD\" Kleywegt" <gerard@xray.bmc.uu.se>]

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> Hi all, here's a simple question. If we traced the CA in the wrong direction, what is the best way to reverse the main 
> chain trace with the pdb file (poly-ala) obtained in the opposite direction?

there's an old and surprisingly simple O macro that will allow
you to reverse the direction for any zone of protein residues:

   ftp://xray.bmc.uu.se/pub/gerard/omac/reverse_chain.omac

follow up with, e.g., lego_auto_mc and lego_auto_sc to generate
full coordinates again. i used this for generating the backwards-
traced model of CRABP II back in 1994

--dvd

******************************************************************
                        Gerard J.  Kleywegt
    [Research Fellow of the Royal  Swedish Academy of Sciences]
Dept. of Cell & Molecular Biology  University of Uppsala
                Biomedical Centre  Box 596
                SE-751 24 Uppsala  SWEDEN

    http://xray.bmc.uu.se/gerard/  mailto:gerard@xray.bmc.uu.se
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