forked from lijiext/lammps
19 lines
379 B
Tcl
19 lines
379 B
Tcl
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# small script to assign atom names to type numbers in LAMMPS .
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# (c) 2008 Axel Kohlmeyer <akohlmey@cmm.chem.upenn.edu>
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proc lmptypetoname {mol names} {
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if {"$mol" == "top"} {
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set mol [molinfo top]
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}
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set t 0
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foreach n $names {
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incr t
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set sel [atomselect $mol "type $t"]
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$sel set name $n
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$sel delete
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}
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return 0
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}
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