Hi
Pascal
I tried this , but found a error message, could you help
[r...@vcentos53 2.2.3]# obgrep [$([CX3H][#6]),$([CX3H2])]=[OX1]
bash: [CX3H][#6]: command not found
bash: [CX3H2]: command not found
==============================
*** Open Babel Error in SMARTSError
SMARTS Error:
[,]=[OX1]
[r...@vcentos53 2.2.3]# obgrep [$([CX3H][#6]),$([CX3H2])]=[OX1]
/usr/local/database/can/10_p1.9.can
bash: [CX3H][#6]: command not found
bash: [CX3H2]: command not found
==============================
*** Open Babel Error in SMARTSError
SMARTS Error:
[,]=[OX1]
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