Dear all,
I want to use joelib to generate the molecular fingerprint like
the format:
11110000011111111111111000000000011100000000000000000000000000000000000000
000000000000000000000000000000000000000010
, but when I use the command: java
joelib2.example.FeatureCalculationExample +SSKey abc.SDF abc.CTX, it just
gives the result as following :
1 -0.08969999849796295 1.4501999616622925 -0.03150000050663948
2 -0.2590000033378601 0.014999999664723873 0.2087000012397766
3 1.3722000122070312 1.757200002670288 -0.2305999994277954
so can I use the joelib to fulfil the task? Much thanks.
Kind regards,
figo
2007/8/22
--
The best way to predict the future is to invent it - Alan Kay
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