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Hi Yufeng--
>
> It turns out that though the atom names and numberings
> are the same in the .psf and .pdb file but the segid
> is different. When I use PDBTools it does not report
> error but if I use xplor.command("coor ...") it tells
> me the ATOMs are not found in the molecule structure.
ok- I'm glad to were able to work that out.
> While it is easy for me to add the segid in my .pdb
> file. I think it would be good if the PDBTools can
> check this also.
>
actually, PDBTool does do this- at the proper debug level - perhaps this
debug level setting needs to be tweaked...
regards--
Charles
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