target项目－babel

来源：互联网发布：sqlserver 设置主键编辑：程序博客网时间：2024/05/17 22:23

1)babel可以接受标准输入，输出到标准输出

mjiang@venus ~/Downloads $

cat Compound_000000001_000025000.sdf.gz |babel -isdf -osmiles test.smiles

1 molecule converted

1 info messages 31 audit log messages

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babel 结果不规范

mjiang@venus ~/java/eclipse/target-hadoop/index/src-py $ cat 2-0.re |babel -isdf -ofpt -xh -xf FP2
>11293 j 71 bits set
00000002 00040820 00000100 40410200 40000000 04000001
80000080 13000402 00000000 00180843 08100004 40008001
00020000 00000000 00000452 00000004 00000400 02000020
00002080 00000000 40002011 08000400 20008000 00400810
00000000 a0010000 40402000 40000000 00400090 08060002
04000000 01002400
>11294i Tanimoto from 11293 j = 0.845238
Possible superstructure of 11293 j
00000002 00040820 00000100 40410200 40000000 04000001
90000080 13000402 00000020 00180843 08300004 40008001
00020000 00008000 00000452 00000004 00040d00 02000020
08002080 00000040 40002011 08000400 20008000 00400810
00000000 a0010000 40402000 40400080 00408090 08060002
04000000 01022400
2 molecules converted
30 audit log messages