Re: [ccp4bb]: responses to resetting atom numbers

[Tadashi NAKAI <nakaix@spring8.or.jp>]

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There is another simple way to reset atom numbers like this:

awk '{if($0~/^ATOM/||$0~/^HETATM/){n++;printf("%6s%5d%s\n",\
substr($0,1,6),n,substr($0,12))}else{print}}' input.pdb > output.pdb

But numbers in 'CONECT' records are not considered...

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Tadashi NAKAI, Ph.D.
Division of Bio-Crystallography Technology, RIKEN Harima Institute / SPring-8
1-1-1 Kouto, Mikazuki, Sayo-gun, Hyogo 679-5148, JAPAN
Phone: +81-791-58-0802 ext.3961(personal), +81-791-58-2839(lab.)
FAX: +81-791-58-2834
E-Mail: nakaix@spring8.or.jp