Skip to Content

Spicoli TK

Programming Libraries for Molecular Modeling

Spicoli TK generates surfaces for molecules and volumes enclosed by these surfaces. Spicoli TK can then apply properties to the surface (hydrogen-bonding, polarity/hydrophobicity, charge etc.) Spicoli TK writes out these surfaces attached to the molecule, so the surface and the molecule can be visualized together.

Modeling Toolkits

Example of a result obtained from a combination of modeling toolkits:
conformers from Omega TK were overlain using Shape TK
while surfaces and coloring were generated by Spicoli TK.