7 Aug
2009
7 Aug
'09
10:39 a.m.
On 08/07/2009 10:37 AM, Daniel Russel wrote: > A simpler hack is to just prefix hetatoms with "H" since I'm pretty sure > the atom types for ATOM records are all well defined. My guess is that > hetatom types in the PDB are a bit of a mess, but perhaps things are > better than that :-)
Fortunately as of the last remediation of PDB, they have a standardized dictionary for HETATMs. So while many things in PDB are still a mess, atom names are not (at last).
Ben
--
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"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle