This table shows all fields that are included in the output file:
Fields |
Requirements |
Notes |
Title section | ||
HEADER |
- | Has to be
defined |
TITLE |
- | Have to be defined |
COMPND |
Chain-ID's |
Auto generated |
SOURCE |
- | Have to be defined |
KEYWDS |
- | Have to be defined |
EXPDTA |
- | Have to be defined |
AUTHOR |
- | Have to be defined |
JRNL |
- | Have to be defined |
REMARK |
- | Have to be defined |
Primary Structure | ||
DBREF | Chain-ID's | Auto generated |
SEQADV | Chain-ID's | Auto generated |
SEQRES | Chain-ID's | Auto generated |
MODRES | Chain-ID's | Auto generated |
Heterogen | ||
HET
|
Chain-ID's | Auto generated |
Miscellaneous Features | ||
SITE | Chain-ID's | Auto generated |
Secondary Structure | ||
HELIX | Chain-ID's | Auto generated |
SHEET | Chain-ID's | Auto generated |
TURN | Chain-ID's | Auto generated |
Connectivity Annotations | ||
SSBOND | Chain-ID's | Auto generated |
LINK | Chain-ID's | Auto generated |
CISPEP | Chain-ID's | Auto generated |
Coordinate Section | ||
ATOM | - |
Numeration
requires serial numbers |
HETATM | - |
Numeration
requires serial numbers |
Connectivity | ||
CONECT | Serial numbers |
Auto generated ( also for all covalent bonds ) |
Bookkeeping | ||
MASTER | - | Auto generated |