[phenixbb] phenix.metal_coordination
YoungJin
yjcho at brandeis.edu
Tue Jan 3 19:25:39 PST 2012
Thanks Ralf,
Actually that's what I did after several trials and errors. Once I
deleted alternative conformers of waters (only metal), there was no
problem. After that, I manually added B for the metal.
Thanks again.
Young-Jin
On 1/3/12 4:06 PM, Ralf Grosse-Kunstleve wrote:
> 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
> <mailto: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
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org <mailto:phenixbb at phenix-online.org>
> http://phenix-online.org/mailman/listinfo/phenixbb
>
>
>
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20120103/15404505/attachment.htm>
More information about the phenixbb
mailing list