[phenixbb] Unknown atoms in refinement

Schubert, Carsten [PRDUS] CSCHUBER at prdus.jnj.com
Thu Aug 30 11:52:10 PDT 2007


you probably need to bounce this question to the CCP4BB too. As far as I know Kevin's Buccaneer uses UNK residue names, not sure about Arp/Warp. If the meaning could be coordinated across suites that would eliminate possible confusion.

Just a thought


> -----Original Message-----
> From: phenixbb-bounces at phenix-online.org
> [mailto:phenixbb-bounces at phenix-online.org]On Behalf Of Ralf W.
> Grosse-Kunstleve
> Sent: Thursday, August 30, 2007 2:40 PM
> To: phenixbb at phenix-online.org
> Subject: Re: [phenixbb] Unknown atoms in refinement
> Hi Jeff,
> > What's the best way of dealing with unknown atoms (UNK) in 
> phenix.refine?
> Sorry for the late reply. I was out of town.
> I see the PDB seems to think UNK should be a peptide with
> N, C, O, CA, CB, CG. Is this what you expected?
> Is this what most people would expect?
> If there is a broad consensus what UNK means we could support it.
> Ralf
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