Hi all, I have a problem with 2D coordinates in SDF files written out by the MDLWriter. 2D coordinates are calculated by the StructureDiagramGenerator class.
Sometimes the sign "�" instead of a figure is written out as a coordinate. In case it happens always both coordinates are concerned at once (see attached example sdf entry at the end of this mail). Has anyone ever experienced this problem and knows why it happens and how to fix it? I could not find a bug report dealing with this problem. Best regards and thanks for your support. Markus CDK 10/28/08,17:56 42 46 0 0 0 0 0 0 0 0999 V2000 0.5130 -1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4772 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 0.9791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 2.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 4.3191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4952 2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 � � 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 � � 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8471 -0.3711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8471 1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 3.1577 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4772 0.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5562 -0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8806 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6202 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1348 1.6087 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 -1.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9642 -1.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -2.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3475 -2.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -1.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2288 -0.7349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6622 2.4789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4952 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 � � 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 � � 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 4 5 3 0 0 0 0 6 7 3 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 26 30 1 0 0 0 0 8 31 1 0 0 0 0 22 32 1 0 0 0 0 17 33 1 0 0 0 0 9 34 1 0 0 0 0 18 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 14 38 1 0 0 0 0 10 39 1 0 0 0 0 13 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 M END $$$$ ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
