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 |