r=substr($0,23,4)-0
> if(b[c,r]!=""){
> printf("%s%6.2f%s\n",substr($0,1,60),b[c,r],substr($0,67))
> next
> }
> }
> {print}' your.pdb > new.pdb
>
> (could be a "one-liner", but easier to read this way)
>
> Cheer
Thanks Peter. Given there are only 150 residues in my PDB file, it is
doable (if I can't work out a script)!
Kind regards,
Yahui
On Mon, Jan 13, 2025 at 3:16 PM Peter Smyth wrote:
> Dear Yahui,
>
> It is possible to set the B-factor (temperature factor) for all atoms in a
> residue at once u
Happy New Year, everyone!
I am looking for a PDB editing tool to replace the B-factors numbers with
another column of numbers, then color the structure by pseudo-B-factors in
ChimeraX. All the atoms of one individual residue will have the same number
at the B-factor column. I can possibly edit the
