From: Egon W. <eg...@us...> - 2005-08-08 17:16:49
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On Monday 8 August 2005 17:28, Rich Apodaca wrote: > The response from MDL seemed pretty clear: the molfile V2000 specification > is typographically correct and MDL registration software will accept only > those V2000 molfiles containing bond types 1, 2, and 3. Rich, this means that MDL input IO will not read 4 bonds, correct? Can anyone confirm that the following MDL molfile cannot indeed not be read by MDL software? ================================================== benzene.mol 12 12 0 0 0 -1.3961 0.0013 -0.0504 C 0 0 0 0 0 -0.7402 -0.3516 1.1313 C 0 0 0 0 0 0.6556 -0.3440 1.1844 C 0 0 0 0 0 1.3956 0.0123 0.0546 C 0 0 0 0 0 0.7398 0.3611 -1.1284 C 0 0 0 0 0 -0.6560 0.3577 -1.1803 C 0 0 0 0 0 1 2 4 1 0 0 1 6 4 0 0 0 2 3 4 0 0 0 3 4 4 6 0 0 4 5 4 0 0 0 5 6 4 0 0 0 M END ================================================== Egon -- eg...@us... GPG: 1024D/D6336BA6 |