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
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"It is a capital mistake to theorize before one has data."
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