[Chimera-users] SDF Partial Charges

Nancy nancy5villa at gmail.com
Sun Jan 31 15:32:27 PST 2010


I am performing protein-ligand docking simulations, and the preferred ligand
input file format is Mol2.  I obtained some of my ligand structures from
PubChem in SDF format, and I noticed that the SDF files contain partial
charges ("PUBCHEM_MMFF94_PARTIAL_CHARGES").  Is there a way to preserve the
charges in Chimera when converting to Mol2 file format?

Thanks in advance.

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