chandkc / HTVS

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Autodock: Supported Metal Ions #36

Open chandkc opened 2 years ago

chandkc commented 2 years ago

Supported: C, H, N, O, F, P, S, Cl, Br, I Mg, Ca, Mn, Fe, Zn

Rest are not supported.

Source: MGLTools/157/MGLToolsPckgs/AutoDockTools/AD4_parameters.dat

chandkc commented 2 years ago

@LobeliaG for manual.

LobeliaG commented 2 years ago

@LobeliaG for manual.

Done.