The illustration above diagrams the various interconversion possibilities amongst file formats related to DOCK. Note that only some formats support partial charges and therefore the force-field scoring option - consult the table below for details.
File Format | SINGLE mode | SEARCH Mode | Supports contact scoring? | Supports forcefield scoring? |
---|---|---|---|---|
standard PDB | yes | no | yes | no |
extended PDB | yes | no | yes | no |
SYBYL MOL2 | yes | no | yes | yes |
dock DB v3.5 | yes | yes | yes | yes |
dock DB v3.0 | yes | yes | yes | yes |
dock DB v2.x | no | yes | yes | no |
dock DB v1.x | no | yes | yes | no |