ESLC_HINT_PARTITION_METHOD_CALCULATE | 0 | Use small molecule calculate (Leo/CLOGP) method |
ESLC_HINT_PARTITION_METHOD_DICTIONARY | 1 | Use dictionary (biopolymer) lookup method |
ESLC_HINT_PARTITION_METHOD_MIXED | 9 | Mixed method (hint object was probably created from merge operation) |
ESLC_HINT_PARTITION_HYDROGENS_UNITED | -1 | Use UNITED atoms (no explicit hydrogens) |
ESLC_HINT_PARTITION_HYDROGENS_ESSENTIAL | 0 | Only polar hydrogens are explicitly treated |
ESLC_HINT_PARTITION_HYDROGENS_ALLEXPLICIT | 1 | All hydrogens are explicitly treated |
ESLC_HINT_PARTITION_HYDROGENS_MIXED | 9 | Mixed treatment of hydrogens (hint object was probably created from merge operation) |
ESLC_HINT_PARTITION_POLARPROX_OFF | -1 | No polar proximity correction |
ESLC_HINT_PARTITION_POLARPROX_VIABOND | 0 | Polar proximity using via bond (standard Leo/CLOGP) method |
ESLC_HINT_PARTITION_POLARPROX_THRUSPACE | 1 | Polar proximity using a through-space function |
ESLC_HINT_PARTITION_POLARPROX_MIXED | 9 | Mixed polar proximity (hint object was probably created from merge operation) |
ESLC_HINT_TS_DISTFUNCT_NONE | 0 | No distance function |
ESLC_HINT_TS_DISTFUNCT_PPF1_EXP_RPPF2 | 1 | n / exp(r*m) |
ESLC_HINT_TS_DISTFUNCT_PPF1_R_PPF2 | 2 | n / r**m |
ESLC_HINT_PARTITION_SOLVCOND_INFERRED | 0 | Solvent condition inferred from molecular (i.e., hydrogen) connectivity |
ESLC_HINT_PARTITION_SOLVCOND_ACID | 1 | Solvent condition acidic (all acids and bases protonated) |
ESLC_HINT_PARTITION_SOLVCOND_NEUTRAL | 2 | Solvent condition neutral (acids ionized, bases protonated) |
ESLC_HINT_PARTITION_SOLVCOND_BASE | 3 | Solvent condition basic (all acids ionized, bases neutral) |
ESLC_HINT_PARTITION_SOLVCOND_MIXED | 9 | Mixed solvent condition (hint object was probably created from merge operation) |