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Rev 7692 Rev 13594
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!if $wims_read_parm!=slib_header
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!if $wims_read_parm!=slib_header
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 !goto proc
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  !goto proc
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!endif
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!endif
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slib_author=Bernadette, Perrin-Riou
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slib_author=Bernadette, Perrin-Riou
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slib_example=c2h2f2,label=false scale=0.8 height=300 width=300\
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slib_example=c2h2f2,label=false scale=0.8 height=300 width=300\
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cl2o,label=true scale=1 height=300 width=300
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cl2o,label=true scale=1 height=300 width=300
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!exit
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!exit
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:proc
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:proc
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slib_cnt_word=!wordcnt $slib_data
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slib_cnt_word=!wordcnt $slib_data
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!if $slib_cnt_word=1
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!if $slib_cnt_word=1
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  slib_data=!record 0 of data/molecule_pdb/$slib_data.pdb
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  slib_data=!record 0 of data/molecule_pdb/$slib_data.pdb
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!endif
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!endif
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!if $slib_format issametext pdb
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!if $slib_format issametext pdb
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slib_nr=!linecnt $slib_data
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  slib_nr=!linecnt $slib_data
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slib_atomes=
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  slib_atomes=
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slib_liens=
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  slib_liens=
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slib_Atom=
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  slib_Atom=
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slib_data= !replace internal , by . in $slib_data
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  slib_data= !replace internal , by . in $slib_data
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!for slib_i=1 to $slib_nr
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  !for slib_i=1 to $slib_nr
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   slib_l=!line $slib_i of $slib_data
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     slib_l=!line $slib_i of $slib_data
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   slib_n=!charcnt $slib_l
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     slib_n=!charcnt $slib_l
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   slib_nom=!char 1 to 6 of $slib_l
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     slib_nom=!char 1 to 6 of $slib_l
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   slib_nom = !nospace $slib_nom
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     slib_nom = !nospace $slib_nom
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   !if $slib_nom iswordof HETATM ATOM
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     !if $slib_nom iswordof HETATM ATOM
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     slib_atom=!char 13 to 14 of $slib_l
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       slib_atom=!char 13 to 14 of $slib_l
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     slib_L =!char 32 to 54 of $slib_l
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       slib_L =!char 32 to 54 of $slib_l
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     slib_L = $slib_atom $slib_L
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       slib_L = $slib_atom $slib_L
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     slib_atomes=!append line $slib_L to $slib_atomes
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       slib_atomes=!append line $slib_L to $slib_atomes
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     slib_atom=!trim $slib_atom
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       slib_atom=!trim $slib_atom
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     slib_atom1=!lookup $slib_atom in slib/chemistry/atom
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       slib_atom1=!lookup $slib_atom in slib/chemistry/atom
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     !if $slib_atom1!=$empty
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       !if $slib_atom1!=$empty
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       slib_atom2=!item 4,3 of $slib_atom1
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         slib_atom2=!item 4,3 of $slib_atom1
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       slib_atom2 = !items2words $slib_atom2
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         slib_atom2 = !items2words $slib_atom2
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       slib_Atom=!append line ATOM $slib_atom $slib_atom2  to $slib_Atom
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         slib_Atom=!append line ATOM $slib_atom $slib_atom2  to $slib_Atom
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       !endif
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     !endif
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     !if $slib_nom issametext COMPND
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       slib_nommolecule=!words 2 of $slib_l
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     !endif
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     !endif
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   !endif
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   !if $slib_nom issametext COMPND
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     slib_nommolecule=!words 2 of $slib_l
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   !endif
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   !if $slib_nom issametext CONECT
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     !if $slib_nom issametext CONECT
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     slib_L = !char 10 to -1 of $slib_l
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       slib_L = !char 10 to -1 of $slib_l
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     slib_L = !words2items $slib_L
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       slib_L = !words2items $slib_L
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     slib_liens=!append line $slib_L to $slib_liens
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      slib_liens=!append line $slib_L to $slib_liens
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   !endif
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    !endif
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!next i
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  !next i
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slib_nbatomes=!linecnt $slib_atomes
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  slib_nbatomes=!linecnt $slib_atomes
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slib_nbliens=!linecnt $slib_liens
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  slib_nbliens=!linecnt $slib_liens
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!for slib_nb=1 to $slib_nbliens
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  !for slib_nb=1 to $slib_nbliens
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   slib_r=!line $slib_nb of $slib_liens
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    slib_r=!line $slib_nb of $slib_liens
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   slib_cnt_r=!itemcnt $slib_r
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    slib_cnt_r=!itemcnt $slib_r
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   slib_lien1=!item 1 of $slib_r
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    slib_lien1=!item 1 of $slib_r
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   slib_lien2=!item 2 to -1 of $slib_r
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    slib_lien2=!item 2 to -1 of $slib_r
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   slib_lien2=!items2words $slib_lien2
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    slib_lien2=!items2words $slib_lien2
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   slib_r1=!line $slib_lien1 of $slib_atomes
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    slib_r1=!line $slib_lien1 of $slib_atomes
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   slib_r1=$slib_r1 $slib_lien2
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    slib_r1=$slib_r1 $slib_lien2
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   slib_atomes=!replace internal line number $slib_lien1 by $slib_r1 in $slib_atomes
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    slib_atomes=!replace internal line number $slib_lien1 by $slib_r1 in $slib_atomes
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!next slib_nb
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  !next slib_nb
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!else
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!else
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slib_atomes=$slib_data
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  slib_atomes=$slib_data
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!endif
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!endif
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slib_atomes=!translate $	$ to $\
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slib_atomes=!translate $	$ to $\
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$ in $slib_atomes
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$ in $slib_atomes
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slib_fichier=fichier.$slib_cnt
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slib_fichier=fichier.$slib_cnt