Re: [phenixbb] phenix.metal_coordination

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 mailto:[email protected]> 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 [email protected] mailto:[email protected] http://phenix-online.org/mailman/listinfo/phenixbb

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