e.g. in entry 1e10, the names are H1, H2, H3.
--Eric
> On Nov 15, 2021, at 6:17 PM, David A Case <david.case.rutgers.edu> wrote:
>
> On Mon, Nov 15, 2021, Kellon Belfon wrote:
>>
>> I noticed that there was a change to the Atom name in the capping group ACE
>> a couple years back. The changes were HH31, HH32, HH33 to H1, H2, H3.
>>
>> These new atom names do not appear to be in line with standard PDB atom
>> names for ACE. Is there a reason for this change? And does anyone oppose to
>> or feel strongly against changing it back?
>
> I made the changes described above, but to me they appear to be the correct
> changes. I just downloaded the latest components.cif file from here:
>
> https://www.wwpdb.org/data/ccd
>
> and hydrogen names are indeed H1,H2,H3. Why do you think that these "are
> not in line with standard PDB atom names for ACE"? The components.cif file
> should be the authoritative source.
>
> ...thx....dac
>
>
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Received on Mon Nov 15 2021 - 18:30:03 PST
