Molconn-Z 4.00 Manual: Toolkit Programmers Guide: Grid Map Parameters

Molconn-Z Toolkit Programmers Guide: Grid Map Parameters

Map Format Type Definitions

ESLC_GRIDMAP_FMT_LIST0Map is in a "list" format - each record is a data point and no header
ESLC_GRIDMAP_FMT_ASCII1Map is in an ASCII format - same as above with header
ESLC_GRIDMAP_FMT_SYBYL2Map is in the Sybyl .cnt format
ESLC_GRIDMAP_FMT_BIOSYM3Map is in the Biosym/MSI .grd format
ESLC_GRIDMAP_FMT_GRASP4Map is in the GRASP/DelPhi .phi format
ESLC_GRIDMAP_FMT_CCP45Map is in the crystallographic CCP4 format

Map Data Type Definitions

ESLC_GRID_MAPTYPE_HINT_MOLECULE 1 HINT Molecular Hydropathic Density
ESLC_GRID_MAPTYPE_HINT_COMPLEMENT 2 HINT Complementary Hydropathic Density
ESLC_GRID_MAPTYPE_HINT_INTRAMOLECULAR 3 HINT Intramolecular Interactions
ESLC_GRID_MAPTYPE_HINT_INTERMOLCULAR 4 HINT Intermolecular Interactions
ESLC_GRID_MAPTYPE_MOLCONNZ_ESTATE 11 Molconn-Z Electrotopological State Density
ESLC_GRID_MAPTYPE_MOLCONNZ_HESTATE 12 Molconn-Z Hydrogen Electrotopological State Density localized on heavy atoms
ESLC_GRID_MAPTYPE_MOLCONNZ_HES_HEAVY 12 Molconn-Z Hydrogen Electrotopological State Density localized on heavy atoms
ESLC_GRID_MAPTYPE_MOLCONNZ_HES_PROTONS 13 Molconn-Z Hydrogen Electrotopological State Density localized on protons
ESLC_GRID_MAPTYPE_HASL_HVAL_ALL 21 HASL Activity density for all H-Val
ESLC_GRID_MAPTYPE_HASL_HVAL_GT_0 22 HASL Activity density for H-Val greater than zero
ESLC_GRID_MAPTYPE_HASL_HVAL_GE_0 23 HASL Activity density for H-Val greater than or equal to zero
ESLC_GRID_MAPTYPE_HASL_HVAL_EQ_0 24 HASL Activity density for H-Val equal to zero
ESLC_GRID_MAPTYPE_HASL_HVAL_LE_0 25 HASL Activity density for H-Val less than or equal to zero
ESLC_GRID_MAPTYPE_HASL_HVAL_LT_0 26 HASL Activity density for H-Val less than zero
ESLC_GRID_MAPTYPE_HASL_HVAL_NE_0 27 HASL Activity density for H-Val not equal to zero