On Tue, Apr 08, 2003, S.Swaminathan wrote:
>
>
> i see that the 3rd column (atom name) is shifted
> slightly to the left, when compared to the original
> pdb file. Why is it so ? Can we avoid it ?
Try the "-b" option.
> What happens to the last two columns of the input pdb?
> (they are absent in the protonated output file).
Protonate discards the sequence numbers (if this is what you mean by the
"last two columns"); they would be out of order anyway if new atoms were
to be added. You will have to change the code if you need these.
...dac
--
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David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
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La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Tue Apr 08 2003 - 17:53:01 PDT
