[phenixbb] phenix.metal_coordination

[Ralf Grosse-Kunstleve]

Hi Young-Jin,
Nigel who wrote the phenix.metal_coordination utility isn't back yet from
the holidays. You may be running into a limitation of the utility. To work
around it, I'd try with a temporary copy of the PDB file with the
alternative conformers removed. The resulting .edits should be a good
starting point.
If this doesn't get you on the right track could you send me (not the list)
your pdb file?
Ralf

On Tue, Jan 3, 2012 at 10:19 AM, Young-Jin Cho <yjcho at brandeis.edu> wrote:

> Hi everyone and wish your happy new year.
> I have a question regarding phenix.metal_coordination. when I typed my
> pdb file that has two alternative conformations of different species
> including metal such as a metal(B) and a water(A). It seems like, in
> this case, phenix.metal_coordination doesn't read the metal.
> Otherwise, is there other way I can let make .edits file for this pdb
> file?
>
> Thanks always in advance,
> Young-Jin
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>
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