[Chimera-users] preserving the serial numbering
pett at cgl.ucsf.edu
Mon Jun 27 18:18:53 PDT 2011
The short answer is no. Generally speaking, unless your structure is
unmodified (in which case, why not use the original file?) there is no
way to write a standard-conformant PDB file while preserving original
serial numbers. Let's say you opened a structure, added hydrogens,
and wanted to write it out with unchanged serial numbers. Well, the
hydrogens are going to have serial numbers larger than any heavy atom,
so since they will be written along with their residue-mates in the
file (else TER card conventions would be violated), the serial numbers
will not be... serial.
Nonetheless, I can imagine scenarios where you would be willing to
ignore the not-strictly-legal nature of such a file, so I'll add a
feature-request ticket to the Chimera Trac database with you on the
recipient list. If anyone else would also like to be on the
notification list, send me an email...
UCSF Computer Graphics Lab
On Jun 27, 2011, at 5:14 PM, George White wrote:
> I am wondering is there any way to write a pdb from Chimera that
> preserves the original atom serial numbering of the input pdb.
> Chimera seems to apply its own renumbering (i.e. making the number
> of the 1st atom #1 etc.) .
> Thanks in advance,
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
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