13 Feb
2008
13 Feb
'08
4:35 p.m.
Keren Lasker wrote: >> 2. The atom type could be argued to really be 'name', since, for >> example, AT_CG1 and AT_CG2 are both carbon, and this is orthogonal from >> the CHARMM forcefield type (probably CT2 or CT3). > In modeller this data is stored as name
Indeed - the name of the atom largely determines its type, so the two are somewhat intertwined.
> We should just use what ever is the convention - which I thought was > name, but if not than we can leave it as it is.
As with everything related to PDB, I don't think there is any kind of convention.
Ben
--
ben@salilab.org http://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle