Chemical Descriptors Library: sdf_helper
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SDF Helper : sdf
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+ ----- MDL's sdf helper ----- +
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+ usage: +
+ sdf_helper [options] < infile > outfile +
+ options: +
+ -s [filename] : select mols that match +
+ props of this file. Use +
+ -t to give prop tag +
+ -g : print sdf property. Use -t for tag +
+ -c : counts the number of mols in the sdf +
+ -n [num] : prints mol number +
+ -p [num] : prints first [num] mols +
+ -t [tag] : tag of the sdf prop +
+ -f [num] : print from [num] +
+ -a [filename] : attach properties to sdf +
+ (type -x for more help) +
+ -x : help for attaching properties +
+ -b [tag] : tag to match +
+ +
+ notes: +
+ 1. * (kleene star) is taken as wildcard +
+ in the file for props to match +
+ +
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+ VJ Sykora +
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Copyright © Vladimir Sykora & Cyprotex Ltd 2006