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#! /bin/bash
# This scripts searches organometallics with ligands coordinated in eta-5
# fashion, moving them to another directory. The scripts does not analyze or
# curate the entries, just separates them from the rest to be manually fixed
# after that.
[ -d ../working ] || mkdir ../working
for i in `ls *.smi` ; do
dato=`obgrep '[Mg,Ca,Sr,Ba,Ra,Sc,Y,Lu,Lr,La,Ce,Pr,Nd,Pm,Sm,Eu,Gd,Tb,Dy,Ho,Er,Tm,Yb,Ac,Th,Pa,U,Np,Pu,Am,Cm,Ti,Zr,Hf,V,Nb,Ta,Cr,Mo,W,Mn,Tc,Re,Fe,Ru,Os,Co,Rh,Ir,Ni,Pd,Pt,Cu,Ag,Au,Zn,Cd,Hg,Al,Ga,In,Tl,Sn,Pb]1234C5~C1~C2~C3~C45' $i`
if [ "$dato" != "" ]; then
mv $i ../working
fi
done
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