On Mon, Dec 20, 2010, Mark Foster wrote:
>
> However, it seems to choke (bus error -- see below) on PDB files that look like this:
>
> foster% head -5 ca.pdb
> ATOM 1 N ARG A 7 21.584 8.339 6.922 1.00 95.61 N
> ATOM 2 CA ARG A 7 22.934 8.080 7.501 1.00 95.63 C
> ATOM 3 C ARG A 7 24.017 8.326 6.450 1.00 95.47 C
> ATOM 4 O ARG A 7 24.000 7.716 5.380 1.00 95.54 O
> ATOM 5 CB ARG A 7 23.004 6.640 8.045 1.00 96.00 C
>
> foster% suppose -fit ::CA ca.pdb cb.pdb
> addstrand: strand A already in mol
Can you post the entire pdb file? I can't reproduce the problems with pdb
files I have lying around that have chain-ids in them. The message above
suggests that your pdb file has two distinct chains that have the same
chain-id ("A"). Is that a possibility?
For sure, the getpdb() routine needs to handle such a problem in a better
fashion, but it would be helpful to know if that really *is* the problem, or
if there is something else amiss.
...dave
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Received on Mon Dec 20 2010 - 20:00:01 PST
