Lab Software Description and Downloads
- Dockeye: Software for interactive ligand-protein docking.
- Qnifft: Software for macromolecular electrostatics. Supported in part by NSF grant MCB02-35440
- Bqequil_pdb: Software for partial charge assignment. Supported in part by NSF grant MCB02-35440 Yang Q, Sharp KA. Atomic charge parameters for the finite difference Poisson-Boltzmann method using electronegativity neutralization. J Chem Theory Comp 2006;2:1152 - 1167
- Travel Depth: Software for determining the depth of every
part of a molecular surface. Supported in part by NSF
grant MCB02-35440 Coleman, R.
G.; Sharp, K. A. J. Mol. Biol 2006.
- Publication Download (superseded by Travel Distance 2.0, see below)
- Travel Distance Code 2.0: Contains Travel Depth, Travel Out and
CHUNNEL algorithms . Supported in part by NSF
grant MCB02-35440, NIH grant GM48130, Structural Biology Training
Grant GM008275 and Computational Genomics Training Grant T32HG000046
Coleman, R.G.; Sharp, K.A. Biophys J 2009.
- Publication Download (superseded by 3.0, see below)
- Travel Distance Code 3.0: Contains Travel Depth, CHUNNEL, CLIPPERS, Burial Depth. Supported in part by NSF grant MCB02-35440, NIH grant GM48130, Structural Biology Training Grant GM008275 and Computational Genomics Training Grant T32HG000046 Coleman, R.G.; Sharp, K.A. Proteins: Structure, Function and Bioinformatics 2009 & Coleman & Sharp, J Chem Inf Model 2010.
- Surfmap: Software for mapping protein surfaces to a sphere. Supported in part by NSF grant MCB02-35440 Rahi SJ, Sharp KA. Mapping complication surfaces to a sphere. International Journal of Computational Geometry and Applications 2006
- Surfcv: Software for calculating solvent accessible area of molecules
- K A Sharp; A Nicholls; B Honig. DelPhi: A Macromolecular Electrostatics Software Package. Copyright Dept. of Biochemistry and Molecular Biophysics, Columbia University, New York; 1990.
© Kim A Sharp 2021