| Field name | Description |
| PDB code |
Enter a PDB four letter code here. We retrieve our PDB files weekly from
one of the PDB mirrors. Thus, any PDB code currently in PDB will be accessible
on this web page, too.
|
| File name |
If you have your own PDB-formatted coordinate file, upload it by pressing
the "Choose" button.
Your file must have PDB-formatted ATOM records. If it also
contains the CRYST1 record the complete crystal is recovered
and used during all computations. (Otherwise, the crystal symmetry
P1 is implicitly assumed.)
Valid file formats are: Plain ASCII, gzip (.gz) compressed or
Unix compress (.Z) compressed files.
|
| Model number |
If the PDB file contains multiple models, enter the desired model number
here.
|
| Altloc indicator |
If the PDB file contains residues with alternate location indicators,
enter one here. This then confines split residues to those atoms with the
specified altloc indicator. However, we suggest to submit only PDB files that
have no altloc indicators.
|
| Asparagine |
If you want to evaluate asparagine OD1 and ND2
atoms, check this box.
|
| Glutamine |
If you want to evaluate glutamine OE1 and NE2
atoms, check this box.
|
NQ-Flipper rotates the amide plane atoms (Asn and Gln)
by 180 degrees to compute the alternative conformation
R2. The plane is rotated about the axis formed by
CB-CG (Asn), or CG-CD (Gln).
A former option to swap atom identities has been removed.
|
