Hi, By trail and error I found that the CSD entry AWETAZ 'crashes' my program. The quite lenghty SMILES code derived from the CSD (not canonical) is:
[CH]123456[H][CH2]789%101[N]1%11%12%13%142[CH2]2%15%165[CH2]5%17%10%12[CH]%10%12%18%13([CH2]%139%11([CH2]961([C]16%11%19%203[H][C]49([H]1)([H]6)([H]%11)([H]%19)[H]%20)[CH2]1%142%10([C]23469%15[H][C]%161([H]2)([H]3)([H]4)([H]6)[H]9)[H]%18)[C]123467[H][C]8%13([H]1)([H]2)([H]3)([H]4)[H]6)[C]123465[H][C]%17%12([H]1)([H]2)([H]3)([H]4)[H]6.CCN1(CC)[CH2]23[CH2]456([C]789%10%112[H]5[C]34([H]67)([H]8)([H]9)([H]%10)[H]%11)N([CH2]23[CH2]4561[H]1[C]789%1025[H]4[C]361([H]7)([H]8)([H]9)[H]%10)(CC)CC.CCOC(=O)COc1c2Sc3cc(cc(c3O)Sc3cc(cc(Sc4c(c(Sc1cc(c2)C(C)(C)C)cc(c4)C(C)(C)C)O)c3[O-])C(C)(C)C)C(C)(C)C I also tried converted this SMILES code to a canonical SMILES code, again resulting in a maximum time error. Thank you, Jan-Joris -- View this message in context: http://forums.openbabel.org/Maximum-time-exceeded-tp4659742p4659745.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
