Chemical Descriptors Library: Smarts Synopsis
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Smarts Synopsis
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+ smarts : CDL's SMARTS +
+ simplify your molecular searches +
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+ +
+ REMEMBER THAT IMPLICIT HYDROGENS ARE NOT +
+ ADDED BY DEFAULT !! +
+ +
+ usage: +
+ smarts [opts] 'smart' -f filename > outfile +
+smarts [opts] -f filename < filename > outfile+
+ +
+ ie. type your smart and press enter +
+ smart input from standard stream +
+ +
+ options: (DEFAULTS) +
+ -i [j,n,m,s] : input format (smi) +
+ -o [j,n,m,s] : output format (smi) +
+ -y : add implicit hydrog (false)+
+ -f [filename] : structures filename +
+ -h : display this help +
+ -x : display primitives +
+ +
+ + formats: +
+ [j]uice, [n]ail, [m]ol, [s]mile +
+ default: smile +
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+ Vladimir J Sykora and Cyprotex Plc +
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Copyright © Vladimir Sykora & Cyprotex Ltd 2006