[ccp4bb] Depositing coordinates with riding hydrogens

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: Re: iMosflm in 6.1 under OS X
From: "William G {- dot -} Scott" wgscott {- at -} CHEMISTRY {- dot -} UCSC {- dot -} EDU
Date: 2008-12-17

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Subject: Re: iMosflm in 6.1 under OS X
From: Jayashankar s {- dot -} jayashankar {- at -} GMAIL {- dot -} COM
Date: 2008-12-17

Subject: Depositing coordinates with riding hydrogens
From: Jonathan Winger wingerj {- at -} BERKELEY {- dot -} EDU
Date: 2008-12-17

Hi all-

Just wondering what the consensus is - should a structure refined with
riding hydrogens be deposited with the coordinates for the hydrogens
included? One could argue that, since they were used in the
refinement to obtain the model and statistics reported, they should be
included in the deposited pdb file. On the other hand, the presence
of hydrogens in the pdb file might lead some to think the hydrogens
were refined against density when they really weren't. Thoughts?

Thanks,
Jon

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: iMosflm in 6.1 under OS X
From: "William G {- dot -} Scott" wgscott {- at -} CHEMISTRY {- dot -} UCSC {- dot -} EDU
Date: 2008-12-17

Next message:
Subject: Re: iMosflm in 6.1 under OS X
From: Jayashankar s {- dot -} jayashankar {- at -} GMAIL {- dot -} COM
Date: 2008-12-17