=========================================================== .___ __ __ _________________ __ __ __| _/|__|/ |_ / ___\_` __ \__ \ | | \/ __ | | \\_ __\ / /_/ > | \// __ \| | / /_/ | | || | \___ /|__| (____ /____/\____ | |__||__| /_____/ \/ \/ grep rough audit - static analysis tool v2.8 written by @Wireghoul =================================[justanotherhacker.com]=== refmac-dictionary-5.41/a/ASM.cif-17-_chem_comp.desc_level refmac-dictionary-5.41/a/ASM.cif:18:ASM ASM '2-AMINO-4-OXO-4(1H-PYRROL-1-YL)BUTAN' peptide 22 13 . refmac-dictionary-5.41/a/ASM.cif-19-# ------------------------------------------------------ ############################################## refmac-dictionary-5.41/a/ASM.cif-34-_chem_comp_atom.z refmac-dictionary-5.41/a/ASM.cif:35: ASM N N NH2 0.000 0.000 0.000 0.000 refmac-dictionary-5.41/a/ASM.cif:36: ASM HN1 H H 0.000 1.006 0.010 0.109 refmac-dictionary-5.41/a/ASM.cif:37: ASM HN2 H H 0.000 -0.406 -0.352 -0.858 refmac-dictionary-5.41/a/ASM.cif:38: ASM CA C CH1 0.000 -0.862 0.490 1.074 refmac-dictionary-5.41/a/ASM.cif:39: ASM HA H H 0.000 -1.372 1.406 0.743 refmac-dictionary-5.41/a/ASM.cif:40: ASM CB C CH2 0.000 -1.904 -0.571 1.427 refmac-dictionary-5.41/a/ASM.cif:41: ASM HB2 H H 0.000 -1.394 -1.488 1.730 refmac-dictionary-5.41/a/ASM.cif:42: ASM HB3 H H 0.000 -2.522 -0.772 0.550 refmac-dictionary-5.41/a/ASM.cif:43: ASM CG C C 0.000 -2.770 -0.085 2.550 refmac-dictionary-5.41/a/ASM.cif:44: ASM OD1 O O 0.000 -2.623 0.976 3.139 refmac-dictionary-5.41/a/ASM.cif:45: ASM ND2 N NR5 0.000 -3.818 -0.937 2.926 refmac-dictionary-5.41/a/ASM.cif:46: ASM CE2 C CR15 0.000 -4.149 -2.166 2.388 refmac-dictionary-5.41/a/ASM.cif:47: ASM HE2 H H 0.000 -3.627 -2.659 1.577 refmac-dictionary-5.41/a/ASM.cif:48: ASM CH2 C CR15 0.000 -5.249 -2.664 3.051 refmac-dictionary-5.41/a/ASM.cif:49: ASM HH2 H H 0.000 -5.743 -3.608 2.856 refmac-dictionary-5.41/a/ASM.cif:50: ASM CH1 C CR15 0.000 -5.613 -1.719 4.031 refmac-dictionary-5.41/a/ASM.cif:51: ASM HH1 H H 0.000 -6.437 -1.802 4.729 refmac-dictionary-5.41/a/ASM.cif:52: ASM CE1 C CR15 0.000 -4.726 -0.671 3.937 refmac-dictionary-5.41/a/ASM.cif:53: ASM HE1 H H 0.000 -4.736 0.219 4.554 refmac-dictionary-5.41/a/ASM.cif:54: ASM C C C 0.000 0.054 0.818 2.243 refmac-dictionary-5.41/a/ASM.cif:55: ASM O O OC -0.500 0.776 -0.006 2.848 refmac-dictionary-5.41/a/ASM.cif:56: ASM OXT O OC -0.500 -0.001 2.026 2.561 refmac-dictionary-5.41/a/ASM.cif-57-loop_ ############################################## refmac-dictionary-5.41/a/ASM.cif-62-_chem_comp_tree.connect_type refmac-dictionary-5.41/a/ASM.cif:63: ASM N n/a CA START refmac-dictionary-5.41/a/ASM.cif:64: ASM HN1 N . . refmac-dictionary-5.41/a/ASM.cif:65: ASM HN2 N . . refmac-dictionary-5.41/a/ASM.cif:66: ASM CA N C . refmac-dictionary-5.41/a/ASM.cif:67: ASM HA CA . . refmac-dictionary-5.41/a/ASM.cif:68: ASM CB CA CG . refmac-dictionary-5.41/a/ASM.cif:69: ASM HB2 CB . . refmac-dictionary-5.41/a/ASM.cif:70: ASM HB3 CB . . refmac-dictionary-5.41/a/ASM.cif:71: ASM CG CB ND2 . refmac-dictionary-5.41/a/ASM.cif:72: ASM OD1 CG . . refmac-dictionary-5.41/a/ASM.cif:73: ASM ND2 CG CE2 . refmac-dictionary-5.41/a/ASM.cif:74: ASM CE2 ND2 CH2 . refmac-dictionary-5.41/a/ASM.cif:75: ASM HE2 CE2 . . refmac-dictionary-5.41/a/ASM.cif:76: ASM CH2 CE2 CH1 . refmac-dictionary-5.41/a/ASM.cif:77: ASM HH2 CH2 . . refmac-dictionary-5.41/a/ASM.cif:78: ASM CH1 CH2 CE1 . refmac-dictionary-5.41/a/ASM.cif:79: ASM HH1 CH1 . . refmac-dictionary-5.41/a/ASM.cif:80: ASM CE1 CH1 HE1 . refmac-dictionary-5.41/a/ASM.cif:81: ASM HE1 CE1 . . refmac-dictionary-5.41/a/ASM.cif:82: ASM C CA . END refmac-dictionary-5.41/a/ASM.cif:83: ASM O C . . refmac-dictionary-5.41/a/ASM.cif:84: ASM OXT C . . refmac-dictionary-5.41/a/ASM.cif:85: ASM ND2 CE1 . ADD refmac-dictionary-5.41/a/ASM.cif-86-loop_ ############################################## refmac-dictionary-5.41/a/ASM.cif-92-_chem_comp_bond.value_dist_esd refmac-dictionary-5.41/a/ASM.cif:93: ASM CA N single 1.450 0.020 refmac-dictionary-5.41/a/ASM.cif:94: ASM CB CA single 1.524 0.020 refmac-dictionary-5.41/a/ASM.cif:95: ASM C CA single 1.500 0.020 refmac-dictionary-5.41/a/ASM.cif:96: ASM HA CA single 1.099 0.020 refmac-dictionary-5.41/a/ASM.cif:97: ASM CG CB single 1.510 0.020 refmac-dictionary-5.41/a/ASM.cif:98: ASM HB2 CB single 1.092 0.020 refmac-dictionary-5.41/a/ASM.cif:99: ASM HB3 CB single 1.092 0.020 refmac-dictionary-5.41/a/ASM.cif:100: ASM OD1 CG double 1.220 0.020 refmac-dictionary-5.41/a/ASM.cif:101: ASM ND2 CG single 1.365 0.020 refmac-dictionary-5.41/a/ASM.cif:102: ASM ND2 CE1 single 1.337 0.020 refmac-dictionary-5.41/a/ASM.cif:103: ASM CE2 ND2 single 1.337 0.020 refmac-dictionary-5.41/a/ASM.cif:104: ASM CE1 CH1 double 1.380 0.020 refmac-dictionary-5.41/a/ASM.cif:105: ASM HE1 CE1 single 1.083 0.020 refmac-dictionary-5.41/a/ASM.cif:106: ASM CH1 CH2 single 1.380 0.020 refmac-dictionary-5.41/a/ASM.cif:107: ASM HH1 CH1 single 1.083 0.020 refmac-dictionary-5.41/a/ASM.cif:108: ASM CH2 CE2 double 1.380 0.020 refmac-dictionary-5.41/a/ASM.cif:109: ASM HE2 CE2 single 1.083 0.020 refmac-dictionary-5.41/a/ASM.cif:110: ASM HH2 CH2 single 1.083 0.020 refmac-dictionary-5.41/a/ASM.cif:111: ASM O C deloc 1.250 0.020 refmac-dictionary-5.41/a/ASM.cif:112: ASM OXT C deloc 1.250 0.020 refmac-dictionary-5.41/a/ASM.cif:113: ASM HN1 N single 1.010 0.020 refmac-dictionary-5.41/a/ASM.cif:114: ASM HN2 N single 1.010 0.020 refmac-dictionary-5.41/a/ASM.cif-115-loop_ ############################################## refmac-dictionary-5.41/a/ASM.cif-121-_chem_comp_angle.value_angle_esd refmac-dictionary-5.41/a/ASM.cif:122: ASM HN1 N HN2 120.000 3.000 refmac-dictionary-5.41/a/ASM.cif:123: ASM HN1 N CA 120.000 3.000 refmac-dictionary-5.41/a/ASM.cif:124: ASM HN2 N CA 120.000 3.000 refmac-dictionary-5.41/a/ASM.cif:125: ASM N CA HA 109.470 3.000 refmac-dictionary-5.41/a/ASM.cif:126: ASM N CA CB 109.470 3.000 refmac-dictionary-5.41/a/ASM.cif:127: ASM N CA C 109.470 3.000 refmac-dictionary-5.41/a/ASM.cif:128: ASM HA CA CB 108.340 3.000 refmac-dictionary-5.41/a/ASM.cif:129: ASM HA CA C 108.810 3.000 refmac-dictionary-5.41/a/ASM.cif:130: ASM CB CA C 109.470 3.000 refmac-dictionary-5.41/a/ASM.cif:131: ASM CA CB HB2 109.470 3.000 refmac-dictionary-5.41/a/ASM.cif:132: ASM CA CB HB3 109.470 3.000 refmac-dictionary-5.41/a/ASM.cif:133: ASM CA CB CG 109.470 3.000 refmac-dictionary-5.41/a/ASM.cif:134: ASM HB2 CB HB3 107.900 3.000 refmac-dictionary-5.41/a/ASM.cif:135: ASM HB2 CB CG 109.470 3.000 refmac-dictionary-5.41/a/ASM.cif:136: ASM HB3 CB CG 109.470 3.000 refmac-dictionary-5.41/a/ASM.cif:137: ASM CB CG OD1 120.500 3.000 refmac-dictionary-5.41/a/ASM.cif:138: ASM CB CG ND2 120.000 3.000 refmac-dictionary-5.41/a/ASM.cif:139: ASM OD1 CG ND2 120.000 3.000 refmac-dictionary-5.41/a/ASM.cif:140: ASM CG ND2 CE2 108.000 3.000 refmac-dictionary-5.41/a/ASM.cif:141: ASM CG ND2 CE1 108.000 3.000 refmac-dictionary-5.41/a/ASM.cif:142: ASM CE2 ND2 CE1 108.000 3.000 refmac-dictionary-5.41/a/ASM.cif:143: ASM ND2 CE2 HE2 126.000 3.000 refmac-dictionary-5.41/a/ASM.cif:144: ASM ND2 CE2 CH2 108.000 3.000 refmac-dictionary-5.41/a/ASM.cif:145: ASM HE2 CE2 CH2 126.000 3.000 refmac-dictionary-5.41/a/ASM.cif:146: ASM CE2 CH2 HH2 126.000 3.000 refmac-dictionary-5.41/a/ASM.cif:147: ASM CE2 CH2 CH1 108.000 3.000 refmac-dictionary-5.41/a/ASM.cif:148: ASM HH2 CH2 CH1 126.000 3.000 refmac-dictionary-5.41/a/ASM.cif:149: ASM CH2 CH1 HH1 126.000 3.000 refmac-dictionary-5.41/a/ASM.cif:150: ASM CH2 CH1 CE1 108.000 3.000 refmac-dictionary-5.41/a/ASM.cif:151: ASM HH1 CH1 CE1 126.000 3.000 refmac-dictionary-5.41/a/ASM.cif:152: ASM CH1 CE1 HE1 126.000 3.000 refmac-dictionary-5.41/a/ASM.cif:153: ASM CH1 CE1 ND2 108.000 3.000 refmac-dictionary-5.41/a/ASM.cif:154: ASM HE1 CE1 ND2 126.000 3.000 refmac-dictionary-5.41/a/ASM.cif:155: ASM CA C O 118.500 3.000 refmac-dictionary-5.41/a/ASM.cif:156: ASM CA C OXT 118.500 3.000 refmac-dictionary-5.41/a/ASM.cif:157: ASM O C OXT 123.000 3.000 refmac-dictionary-5.41/a/ASM.cif-158-loop_ ############################################## refmac-dictionary-5.41/a/ASM.cif-167-_chem_comp_tor.period refmac-dictionary-5.41/a/ASM.cif:168: ASM var_1 HN2 N CA C 175.000 20.000 1 refmac-dictionary-5.41/a/ASM.cif:169: ASM var_2 N CA CB CG 178.692 20.000 3 refmac-dictionary-5.41/a/ASM.cif:170: ASM var_3 CA CB CG ND2 176.663 20.000 3 refmac-dictionary-5.41/a/ASM.cif:171: ASM var_4 CB CG ND2 CE2 0.055 20.000 1 refmac-dictionary-5.41/a/ASM.cif:172: ASM CONST_1 CG ND2 CE1 CH1 180.000 0.000 0 refmac-dictionary-5.41/a/ASM.cif:173: ASM CONST_2 CG ND2 CE2 CH2 180.000 0.000 0 refmac-dictionary-5.41/a/ASM.cif:174: ASM CONST_3 ND2 CE2 CH2 CH1 0.000 0.000 0 refmac-dictionary-5.41/a/ASM.cif:175: ASM CONST_4 CE2 CH2 CH1 CE1 0.000 0.000 0 refmac-dictionary-5.41/a/ASM.cif:176: ASM CONST_5 CH2 CH1 CE1 ND2 0.000 0.000 0 refmac-dictionary-5.41/a/ASM.cif-177-loop_ ############################################## refmac-dictionary-5.41/a/ASM.cif-184-_chem_comp_chir.volume_sign refmac-dictionary-5.41/a/ASM.cif:185: ASM chir_01 CA N CB C negativ refmac-dictionary-5.41/a/ASM.cif-186-loop_ ############################################## refmac-dictionary-5.41/a/ASM.cif-190-_chem_comp_plane_atom.dist_esd refmac-dictionary-5.41/a/ASM.cif:191: ASM plan-1 N 0.020 refmac-dictionary-5.41/a/ASM.cif:192: ASM plan-1 CA 0.020 refmac-dictionary-5.41/a/ASM.cif:193: ASM plan-1 HN1 0.020 refmac-dictionary-5.41/a/ASM.cif:194: ASM plan-1 HN2 0.020 refmac-dictionary-5.41/a/ASM.cif:195: ASM plan-2 CG 0.020 refmac-dictionary-5.41/a/ASM.cif:196: ASM plan-2 CB 0.020 refmac-dictionary-5.41/a/ASM.cif:197: ASM plan-2 OD1 0.020 refmac-dictionary-5.41/a/ASM.cif:198: ASM plan-2 ND2 0.020 refmac-dictionary-5.41/a/ASM.cif:199: ASM plan-3 ND2 0.020 refmac-dictionary-5.41/a/ASM.cif:200: ASM plan-3 CG 0.020 refmac-dictionary-5.41/a/ASM.cif:201: ASM plan-3 CE1 0.020 refmac-dictionary-5.41/a/ASM.cif:202: ASM plan-3 CE2 0.020 refmac-dictionary-5.41/a/ASM.cif:203: ASM plan-3 CH1 0.020 refmac-dictionary-5.41/a/ASM.cif:204: ASM plan-3 CH2 0.020 refmac-dictionary-5.41/a/ASM.cif:205: ASM plan-3 HE1 0.020 refmac-dictionary-5.41/a/ASM.cif:206: ASM plan-3 HH1 0.020 refmac-dictionary-5.41/a/ASM.cif:207: ASM plan-3 HE2 0.020 refmac-dictionary-5.41/a/ASM.cif:208: ASM plan-3 HH2 0.020 refmac-dictionary-5.41/a/ASM.cif:209: ASM plan-4 C 0.020 refmac-dictionary-5.41/a/ASM.cif:210: ASM plan-4 CA 0.020 refmac-dictionary-5.41/a/ASM.cif:211: ASM plan-4 O 0.020 refmac-dictionary-5.41/a/ASM.cif:212: ASM plan-4 OXT 0.020 refmac-dictionary-5.41/a/ASM.cif-213-# ------------------------------------------------------ ############################################## refmac-dictionary-5.41/list/mon_lib_ind.cif-5234- 005001007000000000000000 refmac-dictionary-5.41/list/mon_lib_ind.cif:5235:2618 1 ASM 13 080203000000000000000000000000 013017014012010008004000 refmac-dictionary-5.41/list/mon_lib_ind.cif-5236- 006004003000000000000000 ############################################## refmac-dictionary-5.41/list/mon_lib_list.cif-2564-ASL ASL 'ASPARTIC ACID-4-CARBOXYETHYL ESTER ' peptide 23 14 . refmac-dictionary-5.41/list/mon_lib_list.cif:2565:ASM ASM '2-AMINO-4-OXO-4(1H-PYRROL-1-YL)BUTAN' peptide 22 13 . refmac-dictionary-5.41/list/mon_lib_list.cif-2566-ASN ASN 'ASPARAGINE ' peptide 14 8 . ############################################## refmac-dictionary-5.41/mon_lib_ind.cif-5234- 005001007000000000000000 refmac-dictionary-5.41/mon_lib_ind.cif:5235:2618 1 ASM 13 080203000000000000000000000000 013017014012010008004000 refmac-dictionary-5.41/mon_lib_ind.cif-5236- 006004003000000000000000