| #include "classifier.h" |
|
|
| |
|
|
| static const char *naccess_residue_name[] = {"A", "ALA", "ANY", "ARG", "ASN", "ASP", "C", "CYS", "DA", "DC", "DG", "DI", "DT", "DU", "G", "GLN", "GLU", "GLY", "HIS", "I", "ILE", "LEU", "LYS", "MET", "MSE", "PHE", "PRO", "SEC", "SER", "T", "THR", "TRP", "TYR", "U", "VAL", }; |
| static const char *naccess_A_atom_name[] = {"C2", "C6", "C4", "N7", "N9", "C5", "C8", "N3", "N6", "N1", }; |
| static double naccess_A_atom_radius[] = {1.80, 1.80, 1.80, 1.60, 1.60, 1.80, 1.80, 1.60, 1.60, 1.60, }; |
| static int naccess_A_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_A_cfg = { |
| 10, |
| "A", |
| (char**) naccess_A_atom_name, |
| (double*) naccess_A_atom_radius, |
| (freesasa_atom_class*) naccess_A_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_ALA_atom_name[] = {"CB", }; |
| static double naccess_ALA_atom_radius[] = {1.87, }; |
| static int naccess_ALA_atom_class[] = {FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_ALA_cfg = { |
| 1, |
| "ALA", |
| (char**) naccess_ALA_atom_name, |
| (double*) naccess_ALA_atom_radius, |
| (freesasa_atom_class*) naccess_ALA_atom_class, |
| {"ALA", 107.89, 43.94, 63.94, 36.71, 71.17, 0}, |
| }; |
|
|
| static const char *naccess_ANY_atom_name[] = {"C3'", "OP1", "C", "O5'", "OXT", "C1'", "CA", "C5'", "C4'", "O2'", "O", "OP2", "CB", "N", "P", "O4'", "OP3", "C2'", "O3'", }; |
| static double naccess_ANY_atom_radius[] = {1.80, 1.40, 1.76, 1.40, 1.40, 1.80, 1.87, 1.80, 1.80, 1.40, 1.40, 1.40, 1.87, 1.65, 1.90, 1.40, 1.40, 1.80, 1.40, }; |
| static int naccess_ANY_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_ANY_cfg = { |
| 19, |
| "ANY", |
| (char**) naccess_ANY_atom_name, |
| (double*) naccess_ANY_atom_radius, |
| (freesasa_atom_class*) naccess_ANY_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_ARG_atom_name[] = {"CG", "CD", "NH1", "NE", "NH2", "CZ", }; |
| static double naccess_ARG_atom_radius[] = {1.87, 1.87, 1.65, 1.65, 1.65, 1.76, }; |
| static int naccess_ARG_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_ARG_cfg = { |
| 6, |
| "ARG", |
| (char**) naccess_ARG_atom_name, |
| (double*) naccess_ARG_atom_radius, |
| (freesasa_atom_class*) naccess_ARG_atom_class, |
| {"ARG", 238.33, 41.72, 196.61, 161.10, 77.23, 0}, |
| }; |
|
|
| static const char *naccess_ASN_atom_name[] = {"OD1", "CG", "ND2", }; |
| static double naccess_ASN_atom_radius[] = {1.40, 1.76, 1.65, }; |
| static int naccess_ASN_atom_class[] = {FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_ASN_cfg = { |
| 3, |
| "ASN", |
| (char**) naccess_ASN_atom_name, |
| (double*) naccess_ASN_atom_radius, |
| (freesasa_atom_class*) naccess_ASN_atom_class, |
| {"ASN", 143.97, 41.03, 102.94, 97.83, 46.14, 0}, |
| }; |
|
|
| static const char *naccess_ASP_atom_name[] = {"OD1", "CG", "OD2", }; |
| static double naccess_ASP_atom_radius[] = {1.40, 1.76, 1.40, }; |
| static int naccess_ASP_atom_class[] = {FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_ASP_cfg = { |
| 3, |
| "ASP", |
| (char**) naccess_ASP_atom_name, |
| (double*) naccess_ASP_atom_radius, |
| (freesasa_atom_class*) naccess_ASP_atom_class, |
| {"ASP", 140.48, 41.76, 98.72, 91.19, 49.29, 0}, |
| }; |
|
|
| static const char *naccess_C_atom_name[] = {"C5", "C6", "C4", "C2", "N1", "N4", "O2", "N3", }; |
| static double naccess_C_atom_radius[] = {1.80, 1.80, 1.80, 1.80, 1.60, 1.60, 1.40, 1.60, }; |
| static int naccess_C_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_C_cfg = { |
| 8, |
| "C", |
| (char**) naccess_C_atom_name, |
| (double*) naccess_C_atom_radius, |
| (freesasa_atom_class*) naccess_C_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_CYS_atom_name[] = {"SG", }; |
| static double naccess_CYS_atom_radius[] = {1.85, }; |
| static int naccess_CYS_atom_class[] = {FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_CYS_cfg = { |
| 1, |
| "CYS", |
| (char**) naccess_CYS_atom_name, |
| (double*) naccess_CYS_atom_radius, |
| (freesasa_atom_class*) naccess_CYS_atom_class, |
| {"CYS", 134.24, 41.92, 92.33, 36.49, 97.75, 0}, |
| }; |
|
|
| static const char *naccess_DA_atom_name[] = {"N6", "N1", "C8", "N3", "N9", "N7", "C5", "C2", "C6", "C4", }; |
| static double naccess_DA_atom_radius[] = {1.60, 1.60, 1.80, 1.60, 1.60, 1.60, 1.80, 1.80, 1.80, 1.80, }; |
| static int naccess_DA_atom_class[] = {FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_DA_cfg = { |
| 10, |
| "DA", |
| (char**) naccess_DA_atom_name, |
| (double*) naccess_DA_atom_radius, |
| (freesasa_atom_class*) naccess_DA_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_DC_atom_name[] = {"C2", "C4", "C6", "C5", "O2", "N3", "N4", "N1", }; |
| static double naccess_DC_atom_radius[] = {1.80, 1.80, 1.80, 1.80, 1.40, 1.60, 1.60, 1.60, }; |
| static int naccess_DC_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_DC_cfg = { |
| 8, |
| "DC", |
| (char**) naccess_DC_atom_name, |
| (double*) naccess_DC_atom_radius, |
| (freesasa_atom_class*) naccess_DC_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_DG_atom_name[] = {"C8", "N3", "N1", "N2", "C2", "C6", "C4", "C5", "N9", "N7", "O6", }; |
| static double naccess_DG_atom_radius[] = {1.80, 1.60, 1.60, 1.60, 1.80, 1.80, 1.80, 1.80, 1.60, 1.60, 1.40, }; |
| static int naccess_DG_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_DG_cfg = { |
| 11, |
| "DG", |
| (char**) naccess_DG_atom_name, |
| (double*) naccess_DG_atom_radius, |
| (freesasa_atom_class*) naccess_DG_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_DI_atom_name[] = {"N7", "N9", "C5", "O6", "C2", "C4", "C6", "N1", "C8", "N3", }; |
| static double naccess_DI_atom_radius[] = {1.60, 1.60, 1.80, 1.40, 1.80, 1.80, 1.80, 1.60, 1.80, 1.60, }; |
| static int naccess_DI_atom_class[] = {FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_DI_cfg = { |
| 10, |
| "DI", |
| (char**) naccess_DI_atom_name, |
| (double*) naccess_DI_atom_radius, |
| (freesasa_atom_class*) naccess_DI_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_DT_atom_name[] = {"C7", "N3", "O2", "N1", "C2", "O4", "C6", "C4", "C5", }; |
| static double naccess_DT_atom_radius[] = {1.80, 1.60, 1.40, 1.60, 1.80, 1.40, 1.80, 1.80, 1.80, }; |
| static int naccess_DT_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_DT_cfg = { |
| 9, |
| "DT", |
| (char**) naccess_DT_atom_name, |
| (double*) naccess_DT_atom_radius, |
| (freesasa_atom_class*) naccess_DT_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_DU_atom_name[] = {"N3", "O2", "N1", "C6", "C4", "O4", "C2", "C5", }; |
| static double naccess_DU_atom_radius[] = {1.60, 1.40, 1.60, 1.80, 1.80, 1.40, 1.80, 1.80, }; |
| static int naccess_DU_atom_class[] = {FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_DU_cfg = { |
| 8, |
| "DU", |
| (char**) naccess_DU_atom_name, |
| (double*) naccess_DU_atom_radius, |
| (freesasa_atom_class*) naccess_DU_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_G_atom_name[] = {"N2", "C2", "C6", "C4", "N9", "N7", "C5", "O6", "C8", "N3", "N1", }; |
| static double naccess_G_atom_radius[] = {1.60, 1.80, 1.80, 1.80, 1.60, 1.60, 1.80, 1.40, 1.80, 1.60, 1.60, }; |
| static int naccess_G_atom_class[] = {FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_G_cfg = { |
| 11, |
| "G", |
| (char**) naccess_G_atom_name, |
| (double*) naccess_G_atom_radius, |
| (freesasa_atom_class*) naccess_G_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_GLN_atom_name[] = {"NE2", "OE1", "CD", "CG", }; |
| static double naccess_GLN_atom_radius[] = {1.65, 1.40, 1.76, 1.87, }; |
| static int naccess_GLN_atom_class[] = {FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_GLN_cfg = { |
| 4, |
| "GLN", |
| (char**) naccess_GLN_atom_name, |
| (double*) naccess_GLN_atom_radius, |
| (freesasa_atom_class*) naccess_GLN_atom_class, |
| {"GLN", 178.24, 41.72, 136.52, 126.35, 51.89, 0}, |
| }; |
|
|
| static const char *naccess_GLU_atom_name[] = {"OE2", "OE1", "CD", "CG", }; |
| static double naccess_GLU_atom_radius[] = {1.40, 1.40, 1.76, 1.87, }; |
| static int naccess_GLU_atom_class[] = {FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_GLU_cfg = { |
| 4, |
| "GLU", |
| (char**) naccess_GLU_atom_name, |
| (double*) naccess_GLU_atom_radius, |
| (freesasa_atom_class*) naccess_GLU_atom_class, |
| {"GLU", 172.09, 41.72, 130.37, 112.13, 59.96, 0}, |
| }; |
|
|
| static const char *naccess_GLY_atom_name[] = {"CA", }; |
| static double naccess_GLY_atom_radius[] = {1.87, }; |
| static int naccess_GLY_atom_class[] = {FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_GLY_cfg = { |
| 1, |
| "GLY", |
| (char**) naccess_GLY_atom_name, |
| (double*) naccess_GLY_atom_radius, |
| (freesasa_atom_class*) naccess_GLY_atom_class, |
| {"GLY", 80.30, 80.30, 0.00, 42.62, 37.69, 0}, |
| }; |
|
|
| static const char *naccess_HIS_atom_name[] = {"CG", "NE2", "CE1", "ND1", "CD2", }; |
| static double naccess_HIS_atom_radius[] = {1.76, 1.65, 1.76, 1.65, 1.76, }; |
| static int naccess_HIS_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_HIS_cfg = { |
| 5, |
| "HIS", |
| (char**) naccess_HIS_atom_name, |
| (double*) naccess_HIS_atom_radius, |
| (freesasa_atom_class*) naccess_HIS_atom_class, |
| {"HIS", 182.75, 38.76, 143.99, 85.61, 97.14, 0}, |
| }; |
|
|
| static const char *naccess_I_atom_name[] = {"N3", "C8", "N1", "C4", "C6", "C2", "O6", "C5", "N7", "N9", }; |
| static double naccess_I_atom_radius[] = {1.60, 1.80, 1.60, 1.80, 1.80, 1.80, 1.40, 1.80, 1.60, 1.60, }; |
| static int naccess_I_atom_class[] = {FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_I_cfg = { |
| 10, |
| "I", |
| (char**) naccess_I_atom_name, |
| (double*) naccess_I_atom_radius, |
| (freesasa_atom_class*) naccess_I_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_ILE_atom_name[] = {"CG1", "CG2", "CD1", }; |
| static double naccess_ILE_atom_radius[] = {1.87, 1.87, 1.87, }; |
| static int naccess_ILE_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_ILE_cfg = { |
| 3, |
| "ILE", |
| (char**) naccess_ILE_atom_name, |
| (double*) naccess_ILE_atom_radius, |
| (freesasa_atom_class*) naccess_ILE_atom_class, |
| {"ILE", 175.10, 41.16, 133.94, 36.10, 139.00, 0}, |
| }; |
|
|
| static const char *naccess_LEU_atom_name[] = {"CD2", "CD1", "CG", }; |
| static double naccess_LEU_atom_radius[] = {1.87, 1.87, 1.87, }; |
| static int naccess_LEU_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_LEU_cfg = { |
| 3, |
| "LEU", |
| (char**) naccess_LEU_atom_name, |
| (double*) naccess_LEU_atom_radius, |
| (freesasa_atom_class*) naccess_LEU_atom_class, |
| {"LEU", 178.40, 39.50, 138.90, 36.45, 141.95, 0}, |
| }; |
|
|
| static const char *naccess_LYS_atom_name[] = {"CD", "NZ", "CE", "CG", }; |
| static double naccess_LYS_atom_radius[] = {1.87, 1.50, 1.87, 1.87, }; |
| static int naccess_LYS_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_LYS_cfg = { |
| 4, |
| "LYS", |
| (char**) naccess_LYS_atom_name, |
| (double*) naccess_LYS_atom_radius, |
| (freesasa_atom_class*) naccess_LYS_atom_class, |
| {"LYS", 200.21, 41.72, 158.49, 84.31, 115.90, 0}, |
| }; |
|
|
| static const char *naccess_MET_atom_name[] = {"CE", "CG", "SD", }; |
| static double naccess_MET_atom_radius[] = {1.87, 1.87, 1.85, }; |
| static int naccess_MET_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_MET_cfg = { |
| 3, |
| "MET", |
| (char**) naccess_MET_atom_name, |
| (double*) naccess_MET_atom_radius, |
| (freesasa_atom_class*) naccess_MET_atom_class, |
| {"MET", 193.72, 41.72, 152.00, 36.45, 157.27, 0}, |
| }; |
|
|
| static const char *naccess_MSE_atom_name[] = {"SE", }; |
| static double naccess_MSE_atom_radius[] = {1.80, }; |
| static int naccess_MSE_atom_class[] = {FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_MSE_cfg = { |
| 1, |
| "MSE", |
| (char**) naccess_MSE_atom_name, |
| (double*) naccess_MSE_atom_radius, |
| (freesasa_atom_class*) naccess_MSE_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_PHE_atom_name[] = {"CG", "CD1", "CE2", "CE1", "CZ", "CD2", }; |
| static double naccess_PHE_atom_radius[] = {1.76, 1.76, 1.76, 1.76, 1.76, 1.76, }; |
| static int naccess_PHE_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_PHE_cfg = { |
| 6, |
| "PHE", |
| (char**) naccess_PHE_atom_name, |
| (double*) naccess_PHE_atom_radius, |
| (freesasa_atom_class*) naccess_PHE_atom_class, |
| {"PHE", 199.40, 38.12, 161.27, 34.25, 165.14, 0}, |
| }; |
|
|
| static const char *naccess_PRO_atom_name[] = {"CG", "CD", }; |
| static double naccess_PRO_atom_radius[] = {1.87, 1.87, }; |
| static int naccess_PRO_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_PRO_cfg = { |
| 2, |
| "PRO", |
| (char**) naccess_PRO_atom_name, |
| (double*) naccess_PRO_atom_radius, |
| (freesasa_atom_class*) naccess_PRO_atom_class, |
| {"PRO", 135.84, 27.09, 108.76, 15.17, 120.67, 0}, |
| }; |
|
|
| static const char *naccess_SEC_atom_name[] = {"SE", }; |
| static double naccess_SEC_atom_radius[] = {1.80, }; |
| static int naccess_SEC_atom_class[] = {FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_SEC_cfg = { |
| 1, |
| "SEC", |
| (char**) naccess_SEC_atom_name, |
| (double*) naccess_SEC_atom_radius, |
| (freesasa_atom_class*) naccess_SEC_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_SER_atom_name[] = {"OG", }; |
| static double naccess_SER_atom_radius[] = {1.40, }; |
| static int naccess_SER_atom_class[] = {FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_SER_cfg = { |
| 1, |
| "SER", |
| (char**) naccess_SER_atom_name, |
| (double*) naccess_SER_atom_radius, |
| (freesasa_atom_class*) naccess_SER_atom_class, |
| {"SER", 116.56, 43.38, 73.18, 68.03, 48.53, 0}, |
| }; |
|
|
| static const char *naccess_T_atom_name[] = {"C4", "C6", "O4", "C2", "C5", "N3", "C7", "O2", "N1", }; |
| static double naccess_T_atom_radius[] = {1.80, 1.80, 1.40, 1.80, 1.80, 1.60, 1.80, 1.40, 1.60, }; |
| static int naccess_T_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_T_cfg = { |
| 9, |
| "T", |
| (char**) naccess_T_atom_name, |
| (double*) naccess_T_atom_radius, |
| (freesasa_atom_class*) naccess_T_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_THR_atom_name[] = {"CG2", "OG1", }; |
| static double naccess_THR_atom_radius[] = {1.87, 1.40, }; |
| static int naccess_THR_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_THR_cfg = { |
| 2, |
| "THR", |
| (char**) naccess_THR_atom_name, |
| (double*) naccess_THR_atom_radius, |
| (freesasa_atom_class*) naccess_THR_atom_class, |
| {"THR", 139.25, 41.70, 97.55, 63.50, 75.75, 0}, |
| }; |
|
|
| static const char *naccess_TRP_atom_name[] = {"CD1", "CZ2", "CE2", "NE1", "CG", "CE3", "CH2", "CZ3", "CD2", }; |
| static double naccess_TRP_atom_radius[] = {1.76, 1.76, 1.76, 1.65, 1.76, 1.76, 1.76, 1.76, 1.76, }; |
| static int naccess_TRP_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_TRP_cfg = { |
| 9, |
| "TRP", |
| (char**) naccess_TRP_atom_name, |
| (double*) naccess_TRP_atom_radius, |
| (freesasa_atom_class*) naccess_TRP_atom_class, |
| {"TRP", 248.97, 42.38, 206.59, 59.83, 189.14, 0}, |
| }; |
|
|
| static const char *naccess_TYR_atom_name[] = {"CG", "CZ", "CE1", "CE2", "CD1", "OH", "CD2", }; |
| static double naccess_TYR_atom_radius[] = {1.76, 1.76, 1.76, 1.76, 1.76, 1.40, 1.76, }; |
| static int naccess_TYR_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_TYR_cfg = { |
| 7, |
| "TYR", |
| (char**) naccess_TYR_atom_name, |
| (double*) naccess_TYR_atom_radius, |
| (freesasa_atom_class*) naccess_TYR_atom_class, |
| {"TYR", 212.23, 38.13, 174.10, 76.34, 135.89, 0}, |
| }; |
|
|
| static const char *naccess_U_atom_name[] = {"C2", "C4", "C6", "O4", "C5", "N3", "O2", "N1", }; |
| static double naccess_U_atom_radius[] = {1.80, 1.80, 1.80, 1.40, 1.80, 1.60, 1.40, 1.60, }; |
| static int naccess_U_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_APOLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, FREESASA_ATOM_POLAR, }; |
| static struct classifier_residue naccess_U_cfg = { |
| 8, |
| "U", |
| (char**) naccess_U_atom_name, |
| (double*) naccess_U_atom_radius, |
| (freesasa_atom_class*) naccess_U_atom_class, |
| {NULL, 0, 0, 0, 0, 0}, |
| }; |
|
|
| static const char *naccess_VAL_atom_name[] = {"CG2", "CG1", }; |
| static double naccess_VAL_atom_radius[] = {1.87, 1.87, }; |
| static int naccess_VAL_atom_class[] = {FREESASA_ATOM_APOLAR, FREESASA_ATOM_APOLAR, }; |
| static struct classifier_residue naccess_VAL_cfg = { |
| 2, |
| "VAL", |
| (char**) naccess_VAL_atom_name, |
| (double*) naccess_VAL_atom_radius, |
| (freesasa_atom_class*) naccess_VAL_atom_class, |
| {"VAL", 151.40, 41.17, 110.23, 36.12, 115.28, 0}, |
| }; |
|
|
| static struct classifier_residue *naccess_residue_cfg[] = { |
| &naccess_A_cfg, &naccess_ALA_cfg, &naccess_ANY_cfg, &naccess_ARG_cfg, &naccess_ASN_cfg, &naccess_ASP_cfg, &naccess_C_cfg, &naccess_CYS_cfg, &naccess_DA_cfg, &naccess_DC_cfg, &naccess_DG_cfg, &naccess_DI_cfg, &naccess_DT_cfg, &naccess_DU_cfg, &naccess_G_cfg, &naccess_GLN_cfg, &naccess_GLU_cfg, &naccess_GLY_cfg, &naccess_HIS_cfg, &naccess_I_cfg, &naccess_ILE_cfg, &naccess_LEU_cfg, &naccess_LYS_cfg, &naccess_MET_cfg, &naccess_MSE_cfg, &naccess_PHE_cfg, &naccess_PRO_cfg, &naccess_SEC_cfg, &naccess_SER_cfg, &naccess_T_cfg, &naccess_THR_cfg, &naccess_TRP_cfg, &naccess_TYR_cfg, &naccess_U_cfg, &naccess_VAL_cfg, }; |
|
|
| const freesasa_classifier freesasa_naccess_classifier = { |
| 35, (char**) naccess_residue_name, |
| "NACCESS", |
| (struct classifier_residue **) naccess_residue_cfg, |
| }; |
|
|
|
|