[ccp4bb] How to number atoms in a ligand

Protein crystallography Programs for crystallography X-ray detectors
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CCP4bb <-- 2007 <-- October 2007 <-- 08 October 2007

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Subject: Re: Rfree statistics in SHELXL
From: Oliv Eidam eidamo {- at -} BIOC {- dot -} UNIZH {- dot -} CH
Date: 2007-10-08

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From: "Morris, C (Chris)" c {- dot -} morris {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-10-08

Subject: How to number atoms in a ligand
From: Zheng Zhou zhengzhouzz {- at -} GMAIL {- dot -} COM
Date: 2007-10-08

Hi, all

I am a rookie in crystallography. I know this may be a little bit off topic.
I have cocrystallized several compounds with my favorite protein. I found
crystal structures for some of these chemicals. But the numbering systems
are different in those original papers for the small molecules. Some
numbering system has all the atoms from 1 to the end (C1-O3-O8-N9-C15),
while others have numbers for each individual element. (C1-C12, O1-O2, N1).
I was trying to search a unified theme for ligands in pdb. I even emailed
deposit@deposit.rcsb.org, but so far I haven't heard anything back. Could
anyone give me some suggestions? Any help would be greatly appreciated.

Thanks,

Sorry to bother others

Joe

CCP4bb navigation

CCP4bb <-- 2007 <-- October 2007 <-- 08 October 2007

Previous message:
Subject: Re: Rfree statistics in SHELXL
From: Oliv Eidam eidamo {- at -} BIOC {- dot -} UNIZH {- dot -} CH
Date: 2007-10-08

Next message:
Subject: Issue of IEEE Software on developing scientific software
From: "Morris, C (Chris)" c {- dot -} morris {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-10-08