Bugs item #3117349, was opened at 2010-11-24 06:51 Message generated for change (Tracker Item Submitted) made by nobody You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3117349&group_id=40728
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: None Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Nobody/Anonymous (nobody) Assigned to: Nobody/Anonymous (nobody) Summary: SDF to FS makes OBABEL to crash( 3117263) Initial Comment: Hi Again, regarding the previous BUG 3117263 I just discovered that OBABEL crashes when there is a fragment in the structure with the text "OR" Maybe the app, takes the "OR" fragment as a part of the code rather than a fragment. 846 -OEChem-11091000262D 68 73 0 1 0 0 0 0 0999 V2000 10.3995 2.3517 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 10.3001 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 10.3118 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.1076 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.7103 6.0785 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 14.8647 10.3072 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 19.7403 10.3188 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 12.4533 6.1147 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 22.1636 6.0855 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 0.3637 0.0000 I 4 0 0 0 0 0 0 0 0 0 0 0 2.4348 4.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2696 1.4014 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4231 1.4073 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.8881 4.2112 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.7228 1.4084 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.8764 1.4144 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.2938 0.0071 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8972 5.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 8.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1591 3.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.9045 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7220 8.8930 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.2938 8.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4533 8.9115 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 22.1753 8.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9315 3.5046 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.6878 5.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 6.0605 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8581 4.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6261 6.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0609 6.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0609 3.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6261 8.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 8.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2652 4.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6435 3.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0609 2.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4174 6.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2753 6.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 2.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4174 8.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 8.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 1.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2087 6.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5016 6.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2087 8.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5074 8.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2938 6.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3114 4.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0793 6.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5141 6.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0793 8.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5199 8.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5141 3.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0968 3.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8706 8.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7403 8.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5141 2.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8706 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7286 6.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0910 2.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2997 1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6619 8.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9606 8.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6619 6.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9549 6.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7228 4.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 42 1 0 0 0 0 3 43 1 0 0 0 0 4 45 1 0 0 0 0 5 46 1 0 0 0 0 6 57 1 0 0 0 0 7 58 1 0 0 0 0 8 66 1 0 0 0 0 9 67 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 13 41 1 0 0 0 0 14 44 1 0 0 0 0 15 56 1 0 0 0 0 16 59 1 0 0 0 0 17 62 1 0 0 0 0 18 63 1 0 0 0 0 19 29 1 0 0 0 0 19 36 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 2 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 64 1 0 0 0 0 26 65 2 0 0 0 0 27 68 1 0 0 0 0 28 68 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 30 37 2 0 0 0 0 31 34 1 0 0 0 0 31 39 2 0 0 0 0 32 35 2 0 0 0 0 32 40 1 0 0 0 0 33 36 1 0 0 0 0 33 38 2 0 0 0 0 34 42 2 0 0 0 0 35 43 1 0 0 0 0 37 41 1 0 0 0 0 38 44 1 0 0 0 0 39 45 1 0 0 0 0 40 46 2 0 0 0 0 41 44 2 0 0 0 0 42 47 1 0 0 0 0 43 48 2 0 0 0 0 45 47 2 0 0 0 0 46 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 2 0 0 0 0 50 55 1 0 0 0 0 50 56 2 0 0 0 0 51 53 1 0 0 0 0 51 60 2 0 0 0 0 52 54 1 0 0 0 0 52 61 1 0 0 0 0 53 57 2 0 0 0 0 54 58 2 0 0 0 0 55 59 2 0 0 0 0 55 68 1 0 0 0 0 56 62 1 0 0 0 0 57 64 1 0 0 0 0 58 65 1 0 0 0 0 59 63 1 0 0 0 0 60 66 1 0 0 0 0 61 67 2 0 0 0 0 62 63 2 0 0 0 0 64 66 2 0 0 0 0 65 67 1 0 0 0 0 A 1 OR M CHG 4 22 -1 23 -1 25 -1 27 -1 M ISO 1 10 131 M END > <PUBCHEM_COMPOUND_ID_TYPE> 0 > <PUBCHEM_TOTAL_CHARGE> -4 > <PUBCHEM_SUBSTANCE_ID> 846 > <PUBCHEM_SUBSTANCE_VERSION> 1 > <PUBCHEM_EXT_DATASOURCE_NAME> MOLI > <PUBCHEM_EXT_DATASOURCE_REGID> MOLI000864 > <PUBCHEM_SUBSTANCE_COMMENT> MOLI - NCI Molecular Imaging Agents [131I]-RB; [131I]-rose bengal > <PUBCHEM_SUBSTANCE_SYNONYM> MOLI000864 > <PUBCHEM_XREF_EXT_ID> MOLI000864 > <PUBCHEM_COORDINATE_TYPE> 1 3 $$$$ ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3117349&group_id=40728 ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
