Acceptable input and output ligand file formats are:
- mol2 (i.e. Tripos format)
Of the possible ligand input formats, only mol2 can be used if you wish to set ligand atom types manually. - mol (i.e. MDL sd format)
Files in mol format may also have the extension .mdl or .sdf. - mmCIF (input only)
Acceptable input protein file formats are:
- pdb (.pdb or .ent)
- mol2
- mmCIF (.cif)
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