Ralf, 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 Carsten
-----Original Message----- From: [email protected] [mailto:[email protected]]On Behalf Of Ralf W. Grosse-Kunstleve Sent: Thursday, August 30, 2007 2:40 PM To: [email protected] 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.
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