Blastermaster files
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Meaning of the files created by Blastermaster. These are also documented with each associated program, but since Blastermaster is the widely used interface for docking, they are collected and organized here.
Files for spheres (hot spots)
- matching_spheres.log
- matching_spheres.sph
- all_spheres.sph
- rec.site.dms
- OUTSPH
- dms.log
- vdw.siz
receptor protonation
- addh.log
- reduce_wwPDB_het_dict.txt
grids
general for all grids
- makebox.log
- box
Files for ChemGrid (VDW) grids
- OUTCHEM
- vdw.bmp
- vdw.esp
- vdw.log
- OUTPARM
- INCHEM
- PDBPARM
- rec.crg.pdb
- vdw.parms.amb.mindock
- rec.crg.pdb.dms
Electrostatics with qnifft
- qnifft.electrostatics.phi
- qnifft.eps
- qnifft.log
- qnifft.parm
- qnifft_sas.usr
- amb.crg.oxt
- trim.electrostatics.phi
Files for ligand desolvation grids
- ligand.desolv.heavy
- ligand.desolv.hydrogen
receptor model
- lowdielectric.sph.pdb
unsorted
- lowdielectric.sph.pdb.log
- filter.log
- radii
- heavy
- hydrogen
- rec.crg.pdb.fullh
- vdw.vdw
- INSPH
- post-most.occ.rec.pdb
- rec.crg.pdb.polarH
- xtal-lig.match.sph
- pre-most.occ.rec.pdb
- receptor.crg.lowdielectric.pdb
- xtal-lig.pdb
- pre-rename.xtal-lig.pdb
- rec.ms
- lowdielectric.sph
- prot.table.ambcrg.ambH
- rec.pdb
- lowdielectric.spheres.log
- qnifft.atm
- rec.site