Hi all, I'm trying to use babel to convert a valid sdf file to mol file but it doesn't work. Can anyone take a look and help please? here are the contents of the sdf file:
0 0 0 0 0 999 V3000 M V30 BEGIN CTAB M V30 COUNTS 13 13 3 0 0 M V30 BEGIN ATOM M V30 1 C 7.90196 6.19608 0.00000 0 M V30 2 C 9.29412 5.37255 0.00000 0 M V30 3 C 6.50980 5.37255 0.00000 0 M V30 4 C 6.50980 3.76471 0.00000 0 M V30 5 C 9.31373 3.78431 0.00000 0 M V30 6 C 7.90196 2.94118 0.00000 0 M V30 7 C 7.90196 1.35294 0.00000 0 M V30 8 C 9.21569 0.52941 0.00000 0 M V30 9 O 7.58824 8.09804 0.00000 0 M V30 10 H 7.58824 8.09804 0.00000 0 M V30 11 C 10.27451 1.78431 0.00000 0 M V30 12 C 10.37255 6.49020 0.00000 0 M V30 13 O 10.37255 6.49020 0.00000 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 2 1 M V30 2 1 3 4 M V30 3 1 5 6 M V30 4 1 6 7 M V30 5 1 8 7 M V30 6 2 3 1 M V30 7 2 5 2 M V30 8 2 6 4 M V30 9 1 9 10 M V30 10 1 1 9 M V30 11 2 8 11 M V30 12 1 12 13 M V30 13 1 2 13 M V30 END BOND M V30 BEGIN SGROUP M V30 1 SUP 0 ATOMS=(2 9 10) XBONDS=(1 10) LABEL=OH M V30 2 SUP 0 ATOMS=(1 11) XBONDS=(1 11) LABEL=CH2 M V30 3 SUP 0 ATOMS=(2 12 13) XBONDS=(1 13) LABEL=OCH3 M V30 END SGROUP M V30 END CTAB M END > 51.00000 > 000300@ $$$$ -- View this message in context: http://forums.openbabel.org/openbabel-for-sdf-to-mol-conversion-tp3345521p3345521.html Sent from the openbabel-scripting mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d _______________________________________________ OpenBabel-scripting mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-scripting
