AutoDock PDBQT format (pdbqt)¶
Reads and writes AutoDock PDBQT (Protein Data Bank, Partial Charge (Q), & Atom Type (T)) format
Note that the torsion tree is by default. Use the r write option
to prevent this.
Read Options¶
| -b | Disable automatic bonding |
| -d | Input file is in dlg (AutoDock docking log) format |
Write Options¶
| -b | Enable automatic bonding |
| -r | Output as a rigid molecule (i.e. no branches or torsion tree) |
| -c | Combine separate molecular pieces of input into a single rigid molecule (requires “r” option or will have no effect) |
| -s | Output as a flexible residue |
| -p | Preserve atom indices from input file (default is to renumber atoms sequentially) |
| -h | Preserve hydrogens |
| -n | Preserve atom names |